4-(3-Oxo-1,2-benzothiazol-2-yl)benzenesulfonamide

HCID 462938

Basic information

Standard SMILES
NS(=O)(=O)c1ccc(-n2sc3ccccc3c2=O)cc1
InChIKey
PYQLEJVBSUYVJC-UHFFFAOYSA-N
Molecular formula
C13H10N2O3S2
Average molar mass
306.4 g/mol
Monoisotopic mass
306.01328453

Names & identifiers

Preferred name
4-(3-Oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
IUPAC
4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide

Names & synonyms

4-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamideCHEMBL422908SCHEMBL6226317PYQLEJVBSUYVJC-UHFFFAOYSA-N4-(3-oxo-3H-benzo[d]isothiazol-2-yl)benzenesulfonamide4-(3-oxo-3H-benzo[d] isothiazol-2-yl) benzenesulfonamide4-(3-oxo-3H-benzo[d]isothiazol-2-yl) benzenesulfonamide4-(3-oxo-3H-benzo[d]isothiazol-2-yl)benzene sulfonamideBenzenesulfonamide, 4-(3-oxo-1,2-benzisothiazol-2(3H)-yl)-

Database identifiers

PubChem CID
462938
ChEMBL
CHEMBL422908
Nikkaji
J797.570H

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
114 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
20

Related reactions

15 records

Compound notes

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