Basic information
- Standard SMILES
COc1ccc(CN(C2CC(F)(F)CCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1F- InChIKey
KAHCIMNMSZPRHI-UHFFFAOYSA-N- Molecular formula
- C20H19ClF4N2O4S
- Average molar mass
- 494.9 g/mol
Names & identifiers
- Preferred name
- 4-chloro-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-N-(5,5-difluoro-2-oxoazepan-3-yl)benzenesulfonamide
- IUPAC
- 4-chloro-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-N-(5,5-difluoro-2-oxoazepan-3-yl)benzenesulfonamide
Names & synonyms
SCHEMBL3388831
Database identifiers
- PubChem CID
- 68624261
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 761
Related reactions
1 records
Compound notes
Loading…