Basic information
- Standard SMILES
COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1- InChIKey
FRZXDSUPCFEKPH-GOSISDBHSA-N- Molecular formula
- C20H20ClF3N2O4S
- Average molar mass
- 476.9 g/mol
- Monoisotopic mass
- 476.0784405
Names & identifiers
- Preferred name
- 4-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-(2-fluoro-4-methoxy-benzyl)-benzenesulfonamide
- IUPAC
- 4-chloro-N-[(3R)-5,5-difluoro-2-oxoazepan-3-yl]-N-[(2-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
Names & synonyms
CHEMBL4029504-chloro-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-N-(2-fluoro-4-methoxy-benzyl)-benzenesulfonamideSCHEMBL3391815BDBM50478064
Database identifiers
- PubChem CID
- 44455804
- ChEMBL
CHEMBL402950
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 728
Related reactions
1 records
Compound notes
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