Basic information
- Standard SMILES
COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)cc1- InChIKey
GETJPOJHEZBMIL-OKILXGFUSA-N- Molecular formula
- C19H24BrN3O3S
- Average molar mass
- 454.4 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-N-[5-(cis-3,5-dimethyl-1-piperazinyl)-2-(methyloxy)phenyl]benzenesulfonamide
- IUPAC
- 4-bromo-N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]benzenesulfonamide
Names & synonyms
CHEMBL261466SCHEMBL4801362GETJPOJHEZBMIL-OKILXGFUSA-NBDBM504782474-Bromo-N-[5-(cis-3,5-dimethyl-1-piperazinyl)-2-(methyloxy)phenyl]benzenesulfonamide
Database identifiers
- PubChem CID
- 44452776
- ChEMBL
CHEMBL261466
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 567
Related reactions
9 records
Compound notes
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