4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide

C16H18ClNO3S — CID 3864270

IUPAC4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide
SMILESCC(C(O)c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO3S/c1-12(16(19)13-6-4-3-5-7-13)18(2)22(20,21)15-10-8-14(17)9-11-15/h3-12,16,19H,1-2H3
InChIKeyAGGMPNXXPWUUTI-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.08
Rot. Bonds5

About 4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide

4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 3864270) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID3864270
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide
SMILESCC(C(O)c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO3S/c1-12(16(19)13-6-4-3-5-7-13)18(2)22(20,21)15-10-8-14(17)9-11-15/h3-12,16,19H,1-2H3
InChIKeyAGGMPNXXPWUUTI-UHFFFAOYSA-N
XLogP3.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenylsulfonyl)-4-phenylazepan-4-ol
CID 25192460
5-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 45479962
3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 46902198
3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 53240237
N-(1-hydroxy-1-phenylpropan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 3456923
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,4-dimethylbenzenesulfonamide
CID 6545162
(S)-N-benzyl-4-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 67368523
2-Chloro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide
CID 12952457
4-chloro-N-(difluoromethyl)-N-(2,3-dihydroxy-2-phenylpropyl)-3-methylbenzenesulfonamide
CID 14678272
N-[1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide
CID 21078651
(1S)-1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]ethanol
CID 58584526
N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide
CID 68538984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide (CID 3864270) is 4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide is CC(C(O)c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is AGGMPNXXPWUUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-12(16(19)13-6-4-3-5-7-13)18(2)22(20,21)15-10-8-14(17)9-11-15/h3-12,16,19H,1-2H3.
What are the key properties of 4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide?
4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 3864270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).