4-(2-chlorophenyl)-N-methylbenzenesulfonamide

C13H12ClNO2S — CID 174761183

IUPAC4-(2-chlorophenyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C13H12ClNO2S/c1-15-18(16,17)11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9,15H,1H3
InChIKeyNJXINTQDJVTTJP-UHFFFAOYSA-N
MW281.76 g/mol
LogP2.92
Rot. Bonds3

About 4-(2-chlorophenyl)-N-methylbenzenesulfonamide

4-(2-chlorophenyl)-N-methylbenzenesulfonamide (PubChem CID 174761183) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-methylbenzenesulfonamide
PubChem CID174761183
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name4-(2-chlorophenyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C13H12ClNO2S/c1-15-18(16,17)11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9,15H,1H3
InChIKeyNJXINTQDJVTTJP-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 9906472
CID 9906472
CID 10268555
CID 10268555
CID 10545354
CID 10545354
CID 2165209
CID 2165209
CID 256811
CID 256811
CID 53361486
CID 53361486
CID 137643673
CID 137643673
CID 137645907
CID 137645907
CID 137658027
CID 137658027
CID 722861
CID 722861
CID 2190037
CID 2190037
CID 13623387
CID 13623387

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-chlorophenyl)-N-methylbenzenesulfonamide (CID 174761183) is 4-(2-chlorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is NJXINTQDJVTTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-15-18(16,17)11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9,15H,1H3.
What are the key properties of 4-(2-chlorophenyl)-N-methylbenzenesulfonamide?
4-(2-chlorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 281.76 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 174761183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).