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
- Formal charge
- 0
- Complexity
- 480
Related reactions
15 records
Compound notes
Loading…