Basic information
- Standard SMILES
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)cc1- InChIKey
NEMWBDKWYAQBHE-UHFFFAOYSA-N- Molecular formula
- C18H12BrClN2O3S
- Average molar mass
- 451.7 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-N-[4-chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide
- IUPAC
- 4-bromo-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
Names & synonyms
SCHEMBL343170CHEMBL3716210NEMWBDKWYAQBHE-UHFFFAOYSA-NDB-3966824-Bromo-N-[4-chloro-2-(4-pyridinylcarbonyl)phenyl]benzenesulfonamide4-Bromo-N-[4-chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide4-Bromo-N-[4-chloro-2-(pyridine4-carbonyl)-phenyl]-benzenesulfonamide4-Bromo-N-[4chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide698394-80-8
Database identifiers
- PubChem CID
- 10072530
- ChEMBL
CHEMBL3716210
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 584
Related reactions
22 records
Compound notes
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