Basic information
- Standard SMILES
CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1- InChIKey
AUOFMBSVYHWCGC-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O4S2
- Average molar mass
- 372.8 g/mol
Names & identifiers
- Preferred name
- N-[5-chloro-2-(methylthio)phenyl]-4-methyl-3-nitrobenzenesulfonamide
- IUPAC
- N-(5-chloro-2-methylsulfanylphenyl)-4-methyl-3-nitrobenzenesulfonamide
Names & synonyms
N-[5-chloro-2-(methylthio)phenyl]-4-methyl-3-nitrobenzenesulfonamideSCHEMBL9934879CHEMBL5885370AUOFMBSVYHWCGC-UHFFFAOYSA-NUS9663460, Example 32BDBM327243
Database identifiers
- PubChem CID
- 57378643
- ChEMBL
CHEMBL5885370
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 520
Related reactions
7 records
Compound notes
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