Basic information
- Standard SMILES
Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)cc(C)c1S(=O)(=O)C[N+](=O)[O-]- InChIKey
PIIOZMGJLZXLIJ-UHFFFAOYSA-N- Molecular formula
- C15H15BrN2O6S2
- Average molar mass
- 463.3 g/mol
- Monoisotopic mass
- 461.95549
Names & identifiers
- Preferred name
- 4-bromo-N-[3,5-dimethyl-4-[(nitromethyl)sulphonyl]phenyl]benzenesulphonamide
- IUPAC
- 4-bromo-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzenesulfonamide
Names & synonyms
SCHEMBL7223197PIIOZMGJLZXLIJ-UHFFFAOYSA-N4-bromo-N-[3,5-dimethyl-4-[(nitromethyl)sulphonyl]-phenyl]benzenesulphonamide4-bromo-N-[3,5-dimethyl-4-[(nitromethyl)sulphonyl]phenyl]benzenesulphonamide
Database identifiers
- PubChem CID
- 18676540
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 690
Related reactions
2 records
Compound notes
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