Basic information
- Standard SMILES
CSc1ccc(NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1- InChIKey
GWSIGFRYEBNDJI-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4S2
- Average molar mass
- 338.4 g/mol
Names & identifiers
- Preferred name
- 2'-Nitro-4'-methylthio-p-toluenesulfonanilide
- IUPAC
- 4-methyl-N-(4-methylsulfanyl-2-nitrophenyl)benzenesulfonamide
Names & synonyms
SCHEMBL6832023GWSIGFRYEBNDJI-UHFFFAOYSA-N2'-nitro-4'-methylthio-p-toluenesulfonanilide
Database identifiers
- PubChem CID
- 18509301
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 478
Related reactions
4 records
Compound notes
Loading…