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

Properties

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

ValueSource or prediction
9.25

experimental value

9.16

Eq9: Model for benzenesulfonamides (Training set)

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