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Benzenesulfonyl compounds

Organosulfur compounds that consist of a benzene ring substituted with a sulfonyl group that is subsequently bonded to an organic functional group.

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1

Phenyl sulfone, 97%

CAS: 127-63-9 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 MDL Number: MFCD00007548 InChI Key: KZTYYGOKRVBIMI-UHFFFAOYSA-N Synonym: diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone PubChem CID: 31386 ChEBI: CHEBI:78360 SMILES: O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 31386
CAS 127-63-9
Molecular Weight (g/mol) 218.27
ChEBI CHEBI:78360
MDL Number MFCD00007548
SMILES O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone
InChI Key KZTYYGOKRVBIMI-UHFFFAOYSA-N
Molecular Formula C12H10O2S
2

4-Benzyloxyphenyl 4-Hydroxyphenyl Sulfone, TRC

CAS: 63134-33-8 Molecular Formula: C19 H16 O4 S Molecular Weight (g/mol): 340.39 Synonym: 4-[[4-(Phenylmethoxy)phenyl]sulfonyl]phenol,4-Benzyloxy-4'-hydroxydiphenyl sulfone,4-Benzyloxyphenyl 4-hydroxyphenyl sulfone,4-Benzyloxyphenyl-4'-hydroxyphenyl sulfone,4-Hydroxy-4'-benzyloxydiphenyl sulfone,BPS-BN,BPS-MA 3,p-(p-Benzyloxyphenylsulfonyl)phenol IUPAC Name: 4-(4-phenylmethoxyphenyl)sulfonylphenol SMILES: Oc1ccc(cc1)S(=O)(=O)c2ccc(OCc3ccccc3)cc2

CAS 63134-33-8
Molecular Weight (g/mol) 340.39
SMILES Oc1ccc(cc1)S(=O)(=O)c2ccc(OCc3ccccc3)cc2
Synonym 4-[[4-(Phenylmethoxy)phenyl]sulfonyl]phenol,4-Benzyloxy-4'-hydroxydiphenyl sulfone,4-Benzyloxyphenyl 4-hydroxyphenyl sulfone,4-Benzyloxyphenyl-4'-hydroxyphenyl sulfone,4-Hydroxy-4'-benzyloxydiphenyl sulfone,BPS-BN,BPS-MA 3,p-(p-Benzyloxyphenylsulfonyl)phenol
IUPAC Name 4-(4-phenylmethoxyphenyl)sulfonylphenol
Molecular Formula C19 H16 O4 S
3

4-Aminophenyl sulfone, 97%

CAS: 80-08-0 Molecular Formula: C12H12N2O2S Molecular Weight (g/mol): 248.3 MDL Number: MFCD00007887 InChI Key: MQJKPEGWNLWLTK-UHFFFAOYSA-N Synonym: dapsone,diaphenylsulfone,4,4'-diaminodiphenyl sulfone,dapson,4,4'-sulfonyldianiline,diaphenylsulfon,sulfona,4-aminophenyl sulfone,avlosulfone,diphenasone PubChem CID: 2955 ChEBI: CHEBI:4325 IUPAC Name: 4-(4-aminophenyl)sulfonylaniline SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 2955
CAS 80-08-0
Molecular Weight (g/mol) 248.3
ChEBI CHEBI:4325
MDL Number MFCD00007887
SMILES C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
Synonym dapsone,diaphenylsulfone,4,4'-diaminodiphenyl sulfone,dapson,4,4'-sulfonyldianiline,diaphenylsulfon,sulfona,4-aminophenyl sulfone,avlosulfone,diphenasone
IUPAC Name 4-(4-aminophenyl)sulfonylaniline
InChI Key MQJKPEGWNLWLTK-UHFFFAOYSA-N
Molecular Formula C12H12N2O2S
4

Fenticonazole Sulfone Nitric Acid Salt, TRC

CAS: 80676-29-5 Molecular Formula: C24 H20 Cl2 N2 O3 S . H N O3 Molecular Weight (g/mol): 550.41 Synonym: 1-[2-(2,4-Dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-1H-imidazole Nitrate,Fenticonazole Sulfone Nitrate,1-[(2RS)-2-(2,4-Dichlorophenyl)-2-[[4-(benzenesulfonyl)benzyl]oxy]ethyl]-1H-imidazole Nitrate,1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-, nitrate (1:1),1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-, mononitrate (9CI) IUPAC Name: 1-[2-[[4-(benzenesulfonyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid SMILES: O[N+](=O)[O-].Clc1ccc(C(Cn2ccnc2)OCc3ccc(cc3)S(=O)(=O)c4ccccc4)c(Cl)c1

CAS 80676-29-5
Molecular Weight (g/mol) 550.41
SMILES O[N+](=O)[O-].Clc1ccc(C(Cn2ccnc2)OCc3ccc(cc3)S(=O)(=O)c4ccccc4)c(Cl)c1
Synonym 1-[2-(2,4-Dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-1H-imidazole Nitrate,Fenticonazole Sulfone Nitrate,1-[(2RS)-2-(2,4-Dichlorophenyl)-2-[[4-(benzenesulfonyl)benzyl]oxy]ethyl]-1H-imidazole Nitrate,1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-, nitrate (1:1),1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylsulfonyl)phenyl]methoxy]ethyl]-, mononitrate (9CI)
IUPAC Name 1-[2-[[4-(benzenesulfonyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
Molecular Formula C24 H20 Cl2 N2 O3 S . H N O3
5

4-(4-Hydroxy-3-methylbenzenesulfonyl)-2-methylphenol, TRC

CAS: 16346-97-7 Molecular Formula: C14 H14 O4 S Molecular Weight (g/mol): 278.32 Synonym: 4,4′-Sulfonylbis(2-methylphenol) IUPAC Name: 4-(4-hydroxy-3-methyl-phenyl)sulfonyl-2-methyl-phenol SMILES: Cc1cc(ccc1O)S(=O)(=O)c2ccc(O)c(C)c2

CAS 16346-97-7
Molecular Weight (g/mol) 278.32
SMILES Cc1cc(ccc1O)S(=O)(=O)c2ccc(O)c(C)c2
Synonym 4,4′-Sulfonylbis(2-methylphenol)
IUPAC Name 4-(4-hydroxy-3-methyl-phenyl)sulfonyl-2-methyl-phenol
Molecular Formula C14 H14 O4 S
6

Dideschloro Florfenicol, TRC

CAS: 138872-76-1 Molecular Formula: C12 H16 F N O4 S Molecular Weight (g/mol): 289.32 IUPAC Name: N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide SMILES: CC(=O)N[C@H](CF)[C@H](O)c1ccc(cc1)S(=O)(=O)C

CAS 138872-76-1
Molecular Weight (g/mol) 289.32
SMILES CC(=O)N[C@H](CF)[C@H](O)c1ccc(cc1)S(=O)(=O)C
IUPAC Name N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
Molecular Formula C12 H16 F N O4 S
8

Dapsone Hydroxylamine, TRC

CAS: 32695-27-5 Molecular Formula: C12 H12 N2 O3 S Molecular Weight (g/mol): 264.3 Synonym: Dapsone-hydroxylamine,Aniline, N-hydroxy-4,4'-sulfonyldi- (8CI),4-[(4-Aminophenyl)sulfonyl]-N-hydroxybenzenamine,4-(Hydroxyamino)-4'-aminodiphenyl sulfone,4-Amino-4'-(hydroxyamino)diphenyl sulfone,Dapsone hydroxylamine,N-Hydroxy-4,4'-sulfonyldi(aniline),Benzenamine, 4-[(4-aminophenyl)sulfonyl]-N-hydroxy- IUPAC Name: N-[4-(4-aminophenyl)sulfonylphenyl]hydroxylamine SMILES: Nc1ccc(cc1)S(=O)(=O)c2ccc(NO)cc2

CAS 32695-27-5
Molecular Weight (g/mol) 264.3
SMILES Nc1ccc(cc1)S(=O)(=O)c2ccc(NO)cc2
Synonym Dapsone-hydroxylamine,Aniline, N-hydroxy-4,4'-sulfonyldi- (8CI),4-[(4-Aminophenyl)sulfonyl]-N-hydroxybenzenamine,4-(Hydroxyamino)-4'-aminodiphenyl sulfone,4-Amino-4'-(hydroxyamino)diphenyl sulfone,Dapsone hydroxylamine,N-Hydroxy-4,4'-sulfonyldi(aniline),Benzenamine, 4-[(4-aminophenyl)sulfonyl]-N-hydroxy-
IUPAC Name N-[4-(4-aminophenyl)sulfonylphenyl]hydroxylamine
Molecular Formula C12 H12 N2 O3 S
10

4-Hydroxyphenyl 4-Isopropoxyphenyl Sulfone, TRC

CAS: 95235-30-6 Molecular Formula: C15 H16 O4 S Molecular Weight (g/mol): 292.35 Synonym: 4-[[4-(1-Methylethoxy)phenyl]sulfonyl]phenol,4-Hydroxy-4'-isopropoxy phenyl sulfone,4-Hydroxy-4'-isopropoxydiphenyl sulfone,4-Hydroxyphenyl 4-isopropoxyphenyl sulfone,4-Isopropoxy-4'-hydroxydiphenyl sulfone,D 8,D 8 (sulfone),F 647,NYDS IUPAC Name: 4-(4-propan-2-yloxyphenyl)sulfonylphenol SMILES: CC(C)Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2

CAS 95235-30-6
Molecular Weight (g/mol) 292.35
SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2
Synonym 4-[[4-(1-Methylethoxy)phenyl]sulfonyl]phenol,4-Hydroxy-4'-isopropoxy phenyl sulfone,4-Hydroxy-4'-isopropoxydiphenyl sulfone,4-Hydroxyphenyl 4-isopropoxyphenyl sulfone,4-Isopropoxy-4'-hydroxydiphenyl sulfone,D 8,D 8 (sulfone),F 647,NYDS
IUPAC Name 4-(4-propan-2-yloxyphenyl)sulfonylphenol
Molecular Formula C15 H16 O4 S
11

Fensulfothion Oxon Sulfone, TRC

CAS: 6132-17-8 Molecular Formula: C11 H17 O6 P S Molecular Weight (g/mol): 308.29 Synonym: Phosphoric acid, diethyl 4-(methylsulfonyl)phenyl ester,Phosphoric acid, diethyl p-(methylsulfonyl)phenyl ester (6CI,7CI,8CI),Phenol, p-(methylsulfonyl)-, diethyl phosphate (8CI),Diethyl 4-methylsulfonylphenyl phosphate,Fensulfothion oxon sulfone,Fensulfothion oxygen analog sulfone,O,O-Diethyl O-(4-methylsulfonylphenyl) phosphate IUPAC Name: diethyl (4-methylsulfonylphenyl) phosphate SMILES: CCOP(=O)(OCC)Oc1ccc(cc1)S(=O)(=O)C

CAS 6132-17-8
Molecular Weight (g/mol) 308.29
SMILES CCOP(=O)(OCC)Oc1ccc(cc1)S(=O)(=O)C
Synonym Phosphoric acid, diethyl 4-(methylsulfonyl)phenyl ester,Phosphoric acid, diethyl p-(methylsulfonyl)phenyl ester (6CI,7CI,8CI),Phenol, p-(methylsulfonyl)-, diethyl phosphate (8CI),Diethyl 4-methylsulfonylphenyl phosphate,Fensulfothion oxon sulfone,Fensulfothion oxygen analog sulfone,O,O-Diethyl O-(4-methylsulfonylphenyl) phosphate
IUPAC Name diethyl (4-methylsulfonylphenyl) phosphate
Molecular Formula C11 H17 O6 P S
12

4-((4-(Allyloxy)phenyl)sulfonyl)phenol, TRC

CAS: 97042-18-7 Molecular Formula: C15 H14 O4 S Molecular Weight (g/mol): 290.33 Synonym: Phenol, 4-[[4-(2-propenyloxy)phenyl]sulfonyl]- (9CI),4-[[4-(2-Propen-1-yloxy)phenyl]sulfonyl]phenol,4-Allyloxy-4'-hydroxydiphenylsulfone,4-Hydroxy-4'-allyloxy diphenyl sulfone,4'-Allyloxyphenylsulfonyl-4-phenol,BIS-MAE,BPS-MAE,Bis(4-hydroxyphenyl)sulfone monoallyl ether IUPAC Name: 4-(4-prop-2-enoxyphenyl)sulfonylphenol SMILES: Oc1ccc(cc1)S(=O)(=O)c2ccc(OCC=C)cc2

CAS 97042-18-7
Molecular Weight (g/mol) 290.33
SMILES Oc1ccc(cc1)S(=O)(=O)c2ccc(OCC=C)cc2
Synonym Phenol, 4-[[4-(2-propenyloxy)phenyl]sulfonyl]- (9CI),4-[[4-(2-Propen-1-yloxy)phenyl]sulfonyl]phenol,4-Allyloxy-4'-hydroxydiphenylsulfone,4-Hydroxy-4'-allyloxy diphenyl sulfone,4'-Allyloxyphenylsulfonyl-4-phenol,BIS-MAE,BPS-MAE,Bis(4-hydroxyphenyl)sulfone monoallyl ether
IUPAC Name 4-(4-prop-2-enoxyphenyl)sulfonylphenol
Molecular Formula C15 H14 O4 S
13

Tetrabromobisphenol S, TRC

CAS: 39635-79-5 Molecular Formula: C12 H6 Br4 O4 S Molecular Weight (g/mol): 565.8546 Synonym: 4,4'-Sulfonylbis[2,6-dibromophenol],2,6-Dibromo-4-(3,5-dibromo-4-hydroxyphenyl)sulfonylphenol,3,3',5,5'-Tetrabromobisphenol S,3,5,3',5'-Tetrabromobisphenol S,4,4'-Dihydroxy-3,5,3',5'-tetrabromodiphenyl sulfone,Bis(3,5-dibromo-4-hydroxyphenyl) sulfone,Bis(4-hydroxy-3,5-dibromophenyl) sulfone,EB 400S,FG 400S,FR 640,Flame Cut 160R,NFPP,Tetrabromobisphenol S IUPAC Name: 2,6-dibromo-4-(3,5-dibromo-4-hydroxyphenyl)sulfonylphenol SMILES: Oc1c(Br)cc(cc1Br)S(=O)(=O)c2cc(Br)c(O)c(Br)c2

CAS 39635-79-5
Molecular Weight (g/mol) 565.8546
SMILES Oc1c(Br)cc(cc1Br)S(=O)(=O)c2cc(Br)c(O)c(Br)c2
Synonym 4,4'-Sulfonylbis[2,6-dibromophenol],2,6-Dibromo-4-(3,5-dibromo-4-hydroxyphenyl)sulfonylphenol,3,3',5,5'-Tetrabromobisphenol S,3,5,3',5'-Tetrabromobisphenol S,4,4'-Dihydroxy-3,5,3',5'-tetrabromodiphenyl sulfone,Bis(3,5-dibromo-4-hydroxyphenyl) sulfone,Bis(4-hydroxy-3,5-dibromophenyl) sulfone,EB 400S,FG 400S,FR 640,Flame Cut 160R,NFPP,Tetrabromobisphenol S
IUPAC Name 2,6-dibromo-4-(3,5-dibromo-4-hydroxyphenyl)sulfonylphenol
Molecular Formula C12 H6 Br4 O4 S
14

Bis(2-chloroethyl)ether-4,4'-dihydroxydiphenyl Sulfone Copolymer, TRC

CAS: 190078-71-8 Molecular Formula: (C16 H16 O5 S)n C12 H10 O4 S Synonym: alpha-[4-[(4-hydroxyphenyl)sulfonyl]phenyl]-omega-hydroxy-Poly(oxy-1,2-ethanediyloxy-1,2-ethanediyloxy-1,4-phenylenesulfonyl-1,4-phenylene) IUPAC Name: 4,4'-(((oxybis(ethane-2,1-diyl))bis(oxy))bis(4,1-phenylenesulfonyl))diphenol polymer SMILES: O=S(C1=CC=C(O)C=C1)(C2=CC=C(OCCOCCOC3=CC=C(S(C4=CC=C(O)C=C4)(=O)=O)C=C3)C=C2)=O

CAS 190078-71-8
SMILES O=S(C1=CC=C(O)C=C1)(C2=CC=C(OCCOCCOC3=CC=C(S(C4=CC=C(O)C=C4)(=O)=O)C=C3)C=C2)=O
Synonym alpha-[4-[(4-hydroxyphenyl)sulfonyl]phenyl]-omega-hydroxy-Poly(oxy-1,2-ethanediyloxy-1,2-ethanediyloxy-1,4-phenylenesulfonyl-1,4-phenylene)
IUPAC Name 4,4'-(((oxybis(ethane-2,1-diyl))bis(oxy))bis(4,1-phenylenesulfonyl))diphenol polymer
Molecular Formula (C16 H16 O5 S)n C12 H10 O4 S
15

Deschloro Florfenicol, TRC

CAS: 138872-73-8 Molecular Formula: C12 H15 Cl F N O4 S Molecular Weight (g/mol): 323.77 Synonym: Acetamide, 2-chloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]-,Acetamide, 2-chloro-N-[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]-, [R-(R*,S*)]-,2-Chloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]acetamide,Florfenicol-deschloro IUPAC Name: 2-chloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide SMILES: CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)CCl

CAS 138872-73-8
Molecular Weight (g/mol) 323.77
SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)CCl
Synonym Acetamide, 2-chloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]-,Acetamide, 2-chloro-N-[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]-, [R-(R*,S*)]-,2-Chloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]acetamide,Florfenicol-deschloro
IUPAC Name 2-chloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
Molecular Formula C12 H15 Cl F N O4 S