Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)NC(=O)c2ccc(CCBr)cc2)cc1- InChIKey
FSJQXBOVVWPDGA-UHFFFAOYSA-N- Molecular formula
- C16H16BrNO4S
- Average molar mass
- 398.3 g/mol
- Monoisotopic mass
- 396.99834
Names & identifiers
- Preferred name
- N-[4-(2-bromoethyl)benzoyl]-4-methoxybenzenesulfonamide
- IUPAC
- 4-(2-bromoethyl)-N-(4-methoxyphenyl)sulfonylbenzamide
Names & synonyms
SCHEMBL8441384FSJQXBOVVWPDGA-UHFFFAOYSA-NN-[4-(2-bromoethyl)benzoyl]-4-methoxybenzenesulfonamide
Database identifiers
- PubChem CID
- 67587147
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Compound notes
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