Basic information
- Standard SMILES
Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2- InChIKey
CGJBXWRJKWITJC-UHFFFAOYSA-N- Molecular formula
- C16H16Cl2N2O3S2
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 417.9979401
Names & identifiers
- Preferred name
- 2,4-Dichloro-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-methylbenzenesulfonamide
- IUPAC
- 2,4-dichloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-6-methylbenzenesulfonamide
Names & synonyms
SCHEMBL3833070CHEMBL5495928CGJBXWRJKWITJC-UHFFFAOYSA-N2,4-Dichloro-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6- methylbenzenesulfonamide2,4-Dichloro-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-methylbenzenesulfonamide2.4-Dichloro-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazo1-2-yl)-6 methylbenzenesulfonamide
Database identifiers
- PubChem CID
- 9844973
- ChEMBL
CHEMBL5495928
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 638
Related reactions
2 records
Compound notes
Loading…