N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide

C15H14ClNO3S — CID 60532816

IUPACN-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H14ClNO3S/c1-10-14(16)4-3-5-15(10)21(19,20)17-13-8-6-12(7-9-13)11(2)18/h3-9,17H,1-2H3
InChIKeyDGPYFGCCXIQJSS-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.65
Rot. Bonds4

About N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide

N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide (PubChem CID 60532816) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
PubChem CID60532816
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H14ClNO3S/c1-10-14(16)4-3-5-15(10)21(19,20)17-13-8-6-12(7-9-13)11(2)18/h3-9,17H,1-2H3
InChIKeyDGPYFGCCXIQJSS-UHFFFAOYSA-N
XLogP3.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
N-(4-acetylphenyl)-2-cyanobenzenesulfonamide
CID 40655133
N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 138998155
3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540546
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
N-(4-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3621069
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
CID 161351368

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide (CID 60532816) is N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is DGPYFGCCXIQJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-10-14(16)4-3-5-15(10)21(19,20)17-13-8-6-12(7-9-13)11(2)18/h3-9,17H,1-2H3.
What are the key properties of N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide?
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide has a molecular weight of 323.80 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 60532816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).