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

C13H12ClNO2S — CID 722853

IUPAC4-chloro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO2S/c1-10-2-6-12(7-3-10)15-18(16,17)13-8-4-11(14)5-9-13/h2-9,15H,1H3
InChIKeyXXXCKIVSPGWSOF-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.45
Rot. Bonds3

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

4-chloro-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 722853) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 4-chloro-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-methylphenyl)benzenesulfonamide
PubChem CID722853
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name4-chloro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO2S/c1-10-2-6-12(7-3-10)15-18(16,17)13-8-4-11(14)5-9-13/h2-9,15H,1H3
InChIKeyXXXCKIVSPGWSOF-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-methylphenyl)benzenesulfonamide (CID 722853) is 4-chloro-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is XXXCKIVSPGWSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-10-2-6-12(7-3-10)15-18(16,17)13-8-4-11(14)5-9-13/h2-9,15H,1H3.
What are the key properties of 4-chloro-N-(4-methylphenyl)benzenesulfonamide?
4-chloro-N-(4-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-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 722853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).