Basic information
- Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1- InChIKey
SMBFHJNRJHAKGZ-UHFFFAOYSA-N- Molecular formula
- C22H21ClN2O3S
- Average molar mass
- 428.9 g/mol
Names & identifiers
- Preferred name
- 4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamide
- IUPAC
- 4-tert-butyl-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
Names & synonyms
4-tert-butyl-N-(4-chloro-2-isonicotinoylphenyl)benzenesulfonamideSCHEMBL343333CHEMBL3719098SMBFHJNRJHAKGZ-UHFFFAOYSA-N698394-72-8DB-2190394-tert-Butyl-N-[4chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide4-tert-Butyl-N-[4-chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide
Database identifiers
- PubChem CID
- 9823937
- ChEMBL
CHEMBL3719098
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 657
Related reactions
9 records
Compound notes
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