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

C13H12ClNO2S — CID 26952259

IUPAC3-chloro-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO2S/c1-10-5-2-3-8-13(10)15-18(16,17)12-7-4-6-11(14)9-12/h2-9,15H,1H3
InChIKeyVOESVONHZGVSPH-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.45
Rot. Bonds3

About 3-chloro-N-(2-methylphenyl)benzenesulfonamide

3-chloro-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 26952259) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 3-chloro-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylphenyl)benzenesulfonamide
PubChem CID26952259
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name3-chloro-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO2S/c1-10-5-2-3-8-13(10)15-18(16,17)12-7-4-6-11(14)9-12/h2-9,15H,1H3
InChIKeyVOESVONHZGVSPH-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

3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide
CID 1355590
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 177453725
N-[2-(aminomethyl)phenyl]-3-chlorobenzenesulfonamide
CID 64897005
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046629
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
3-chloro-N-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
CID 122399968

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-methylphenyl)benzenesulfonamide (CID 26952259) is 3-chloro-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is VOESVONHZGVSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-10-5-2-3-8-13(10)15-18(16,17)12-7-4-6-11(14)9-12/h2-9,15H,1H3.
What are the key properties of 3-chloro-N-(2-methylphenyl)benzenesulfonamide?
3-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 3-chloro-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 26952259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).