Basic information
- Standard SMILES
Cc1cc(NS(C)(=O)=O)cc(C)c1S(=O)(=O)C[N+](=O)[O-]- InChIKey
ZAISHMPLTWBHCF-UHFFFAOYSA-N- Molecular formula
- C10H14N2O6S2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.02932852
Names & identifiers
- Preferred name
- N-[3,5-dimethyl-4-[(nitromethyl)sulphonyl]phenyl]methanesulphonamide
- IUPAC
- N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide
Names & synonyms
SCHEMBL7221394ZAISHMPLTWBHCF-UHFFFAOYSA-NN-[3,5-dimethyl-4-[(nitromethyl)sulphonyl]phenyl]-methanesulphonamideN-[3,5-dimethyl-4-[(nitromethyl)sulphonyl]phenyl]methanesulphonamide
Database identifiers
- PubChem CID
- 18676571
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 542
Related reactions
2 records
Compound notes
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