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:3
Name:4-amino-N-(4-nitrophenyl)benzene-1-sulfonamide
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C12H11N3O4S/c13-9-1-7-12(8-2-9)20(18,19)14-10-3-5-11(6-4-10)15(16)17/h1-8,14H,13H2

Properties

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

ValueSource or prediction
6.97

experimental value

7.55

Eq9: Model for benzenesulfonamides (Training set)

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