10967/147 - QDB Compounds

QsarDB Repository

Thakur, A. QSAR study on benzenesulfonamide ionization constant: physicochemical approach using surface tension. ARKIVOC 2005, 2005, 49-58.

Compound

ID:17
Name:4-amino-N-(3-methylphenyl)benzene-1-sulfonamide
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C13H14N2O2S/c1-10-3-2-4-12(9-10)15-18(16,17)13-7-5-11(14)6-8-13/h2-9,15H,14H2,1H3

Properties

pKa: Acid dissociation constant as log(1/Ka)

ValueSource or prediction
9.05

experimental value

9.16

Eq9: Model for benzenesulfonamides (Training set)