4-chloro-N-(2-methylphenyl)benzenesulfonamide

C13H12ClNO2S — CID 722856

IUPAC4-chloro-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,1H3
InChIKeyZYZASMFVXCZPEW-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.45
Rot. Bonds3

About 4-chloro-N-(2-methylphenyl)benzenesulfonamide

4-chloro-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 722856) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 4-chloro-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylphenyl)benzenesulfonamide
PubChem CID722856
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name4-chloro-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,1H3
InChIKeyZYZASMFVXCZPEW-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 5-amino-2-chloro-N-(2,4-dimethylphenyl)-
CID 117071
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
N-(2-Chlorophenyl)benzenesulfonamide
CID 252039
Benzenesulfono-o-toluidide
CID 87657
2',4'-Dimethylbenzenesulfonanilide
CID 295226
Benzenesulfonamide, N-(4-chlorophenyl)-4-methyl-
CID 76182
4-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 668798
N-(4-Chlorophenyl)benzenesulfonamide
CID 20865
4-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 295192
4-Chloro-4'-ethylbenzenesulfonanilide
CID 710437
N-(2,5-Dimethylphenyl)benzenesulfonamide
CID 577858

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methylphenyl)benzenesulfonamide (CID 722856) is 4-chloro-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is ZYZASMFVXCZPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,1H3.
What are the key properties of 4-chloro-N-(2-methylphenyl)benzenesulfonamide?
4-chloro-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 281.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 722856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).