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Organic sulfonic acids and derivatives

Organic compounds that consist of sulfonic acid with organic functional group substitutions; includes compounds that are derived from organic sulfonic acids.

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1

KN-62

CAS: 127191-97-3 Molecular Formula: C38H35N5O6S2 Molecular Weight (g/mol): 721.85 MDL Number: MFCD00083180 InChI Key: RJVLFQBBRSMWHX-UHFFFAOYNA-N Synonym: s-4-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,unii-63hm46xpow,chembl28324,63hm46xpow,1-n,o-bis 5-isoquinolinesulfonyl-n-methyl-l-tyrosyl-4-phenylpiperazine,s-5-isoquinolinesulfonic acid 4-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester,4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl isoquinolinesulfonic acid ester,4-2s-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,5-isoquinolinesulfonic acid, 4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester PubChem CID: 5312126 IUPAC Name: [4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate SMILES: CN(C(CC1=CC=C(OS(=O)(=O)C2=C3C=CN=CC3=CC=C2)C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1

PubChem CID 5312126
CAS 127191-97-3
Molecular Weight (g/mol) 721.85
MDL Number MFCD00083180
SMILES CN(C(CC1=CC=C(OS(=O)(=O)C2=C3C=CN=CC3=CC=C2)C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1
Synonym s-4-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,unii-63hm46xpow,chembl28324,63hm46xpow,1-n,o-bis 5-isoquinolinesulfonyl-n-methyl-l-tyrosyl-4-phenylpiperazine,s-5-isoquinolinesulfonic acid 4-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester,4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl isoquinolinesulfonic acid ester,4-2s-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,5-isoquinolinesulfonic acid, 4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester
IUPAC Name [4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
InChI Key RJVLFQBBRSMWHX-UHFFFAOYNA-N
Molecular Formula C38H35N5O6S2
2

(3-Methylsulfonylaminomethyl)benzeneboronic acid, 98%, Thermo Scientific Chemicals

CAS: 850568-39-7 Molecular Formula: C8H12BNO4S Molecular Weight (g/mol): 229.057 MDL Number: MFCD06659817 InChI Key: FJSWJJOLFPIDER-UHFFFAOYSA-N Synonym: 3-methylsulfonamidomethyl phenyl boronic acid,3-methylsulphonylamino methyl benzeneboronic acid,3-methanesulfonylaminomethylphenyl boronic acid,3-methanesulfonylaminomethyl phenylboronic acid,3-methanesulfonylaminomethyl benzeneboronic acid,3-methanesulfonamidomethyl phenylboronic acid,3-methylsulfonylaminomethyl benzeneboronic acid,3-methylsulfonamidomethyl phenylboronic acid,3-methylsulfonamidomethyl phenyl boronicacid,3-methanesulfonamidomethyl phenyl boronic acid PubChem CID: 22309453 IUPAC Name: [3-(methanesulfonamidomethyl)phenyl]boronic acid SMILES: B(C1=CC(=CC=C1)CNS(=O)(=O)C)(O)O

PubChem CID 22309453
CAS 850568-39-7
Molecular Weight (g/mol) 229.057
MDL Number MFCD06659817
SMILES B(C1=CC(=CC=C1)CNS(=O)(=O)C)(O)O
Synonym 3-methylsulfonamidomethyl phenyl boronic acid,3-methylsulphonylamino methyl benzeneboronic acid,3-methanesulfonylaminomethylphenyl boronic acid,3-methanesulfonylaminomethyl phenylboronic acid,3-methanesulfonylaminomethyl benzeneboronic acid,3-methanesulfonamidomethyl phenylboronic acid,3-methylsulfonylaminomethyl benzeneboronic acid,3-methylsulfonamidomethyl phenylboronic acid,3-methylsulfonamidomethyl phenyl boronicacid,3-methanesulfonamidomethyl phenyl boronic acid
IUPAC Name [3-(methanesulfonamidomethyl)phenyl]boronic acid
InChI Key FJSWJJOLFPIDER-UHFFFAOYSA-N
Molecular Formula C8H12BNO4S
4

alpha-Toluenesulfonamide, 98%

CAS: 4563-33-1 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.21 MDL Number: MFCD00041893 InChI Key: ABOYDMHGKWRPFD-UHFFFAOYSA-N Synonym: benzenemethanesulfonamide,benzylsulfonamide,alpha-toluenesulfonamide,methanesulfonamide, 1-phenyl,.alpha.-toluenesulfonamide,1-phenylmethanesulfonamide,toluene-.omega.-sulfonamide,toluene-alpha-sulphonamide,benzyl-sulfonamide,a-toluenesulfonamide PubChem CID: 78318 IUPAC Name: phenylmethanesulfonamide SMILES: NS(=O)(=O)CC1=CC=CC=C1

PubChem CID 78318
CAS 4563-33-1
Molecular Weight (g/mol) 171.21
MDL Number MFCD00041893
SMILES NS(=O)(=O)CC1=CC=CC=C1
Synonym benzenemethanesulfonamide,benzylsulfonamide,alpha-toluenesulfonamide,methanesulfonamide, 1-phenyl,.alpha.-toluenesulfonamide,1-phenylmethanesulfonamide,toluene-.omega.-sulfonamide,toluene-alpha-sulphonamide,benzyl-sulfonamide,a-toluenesulfonamide
IUPAC Name phenylmethanesulfonamide
InChI Key ABOYDMHGKWRPFD-UHFFFAOYSA-N
Molecular Formula C7H9NO2S
5

Bis[(2R,5R)-1-(2-[(2R,5R)-2,5-dimethyl-1-phospholanyl]phenyl)-2,5-dimethylphospholane 1-oxide]copper(I) triflate, 97%

CAS: 874013-62-4 Molecular Formula: C37H56CuF3O5P4S Molecular Weight (g/mol): 857.346 MDL Number: MFCD17018797 InChI Key: JGVWSKIVCRMXGT-YCIFJGFLSA-M Synonym: bis 1-2r,5r-2,5-dimethylphospholanyl-2-2r,5r-2,5-dimethylphospholanyl-oxide benzene cu i trifluoromethanesulfonate PubChem CID: 11707733 IUPAC Name: copper(1+);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethyl-1$l^{5}-phospholane 1-oxide;trifluoromethanesulfonate SMILES: CC1CCC(P1C2=CC=CC=C2P3(=O)C(CCC3C)C)C.CC1CCC(P1C2=CC=CC=C2P3(=O)C(CCC3C)C)C.C(F)(F)(F)S(=O)(=O)[O-].[Cu+]

PubChem CID 11707733
CAS 874013-62-4
Molecular Weight (g/mol) 857.346
MDL Number MFCD17018797
SMILES CC1CCC(P1C2=CC=CC=C2P3(=O)C(CCC3C)C)C.CC1CCC(P1C2=CC=CC=C2P3(=O)C(CCC3C)C)C.C(F)(F)(F)S(=O)(=O)[O-].[Cu+]
Synonym bis 1-2r,5r-2,5-dimethylphospholanyl-2-2r,5r-2,5-dimethylphospholanyl-oxide benzene cu i trifluoromethanesulfonate
IUPAC Name copper(1+);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethyl-1$l^{5}-phospholane 1-oxide;trifluoromethanesulfonate
InChI Key JGVWSKIVCRMXGT-YCIFJGFLSA-M
Molecular Formula C37H56CuF3O5P4S
6

(4-Methylsulfonylaminomethyl)benzeneboronic acid, 98%, Thermo Scientific™

CAS: 850568-38-6 Molecular Formula: C8H12BNO4S Molecular Weight (g/mol): 229.057 MDL Number: MFCD06659816 InChI Key: DFNWPOUFTMAIGJ-UHFFFAOYSA-N Synonym: 4-methylsulfonamidomethyl phenyl boronic acid,4-methanesulfonylaminomethylphenyl boronic acid,4-methylsulphonylamino methyl benzeneboronic acid,4-methanesulfonylaminomethyl phenylboronic acid,4-methanesulfonamidomethyl phenylboronic acid,4-methylsulfonylaminomethyl benzeneboronic acid,4-methylsulfonamidomethyl phenylboronic acid,4-methylsulfonamidomethyl phenyl boronicacid,4-methanesulfonylaminomethyl phenyl boronic acid PubChem CID: 22309452 IUPAC Name: [4-(methanesulfonamidomethyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)CNS(=O)(=O)C)(O)O

PubChem CID 22309452
CAS 850568-38-6
Molecular Weight (g/mol) 229.057
MDL Number MFCD06659816
SMILES B(C1=CC=C(C=C1)CNS(=O)(=O)C)(O)O
Synonym 4-methylsulfonamidomethyl phenyl boronic acid,4-methanesulfonylaminomethylphenyl boronic acid,4-methylsulphonylamino methyl benzeneboronic acid,4-methanesulfonylaminomethyl phenylboronic acid,4-methanesulfonamidomethyl phenylboronic acid,4-methylsulfonylaminomethyl benzeneboronic acid,4-methylsulfonamidomethyl phenylboronic acid,4-methylsulfonamidomethyl phenyl boronicacid,4-methanesulfonylaminomethyl phenyl boronic acid
IUPAC Name [4-(methanesulfonamidomethyl)phenyl]boronic acid
InChI Key DFNWPOUFTMAIGJ-UHFFFAOYSA-N
Molecular Formula C8H12BNO4S
7

Zinterol hydrochloride, Tocris Bioscience™

CAS: 37000-20-7 Molecular Formula: C19H26N2O4S Molecular Weight (g/mol): 378.487 InChI Key: XJBCFFLVLOPYBV-UHFFFAOYSA-N Synonym: zinterol,zinterol inn,zinterolum inn-latin,n-2-hydroxy-5-1-hydroxy-2-2-methyl-1-phenylpropan-2-ylamino ethyl phenyl methanesulfonamide,n-2-hydroxy-5-1-hydroxy-2-2-methyl-1-phenylpropan-2-yl amino ethyl phenyl methanesulfonamide,zinterolum,2'-hydroxy-5'-l-hydroxy-2-2-methyl-1-phenyl-2-propylamino ethyl methanesulfonanilide,methanesulfonamide, n-5-2-1,1-dimethyl-2-phenylethyl amino-1-hydroxyethyl-2-hydroxyphenyl,d0a0kp PubChem CID: 37990 IUPAC Name: N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamide SMILES: CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)NS(=O)(=O)C)O

PubChem CID 37990
CAS 37000-20-7
Molecular Weight (g/mol) 378.487
SMILES CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)NS(=O)(=O)C)O
Synonym zinterol,zinterol inn,zinterolum inn-latin,n-2-hydroxy-5-1-hydroxy-2-2-methyl-1-phenylpropan-2-ylamino ethyl phenyl methanesulfonamide,n-2-hydroxy-5-1-hydroxy-2-2-methyl-1-phenylpropan-2-yl amino ethyl phenyl methanesulfonamide,zinterolum,2'-hydroxy-5'-l-hydroxy-2-2-methyl-1-phenyl-2-propylamino ethyl methanesulfonanilide,methanesulfonamide, n-5-2-1,1-dimethyl-2-phenylethyl amino-1-hydroxyethyl-2-hydroxyphenyl,d0a0kp
IUPAC Name N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamide
InChI Key XJBCFFLVLOPYBV-UHFFFAOYSA-N
Molecular Formula C19H26N2O4S