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Basic information
- Standard SMILES
CC1(C)CCNC(=O)[C@H](N(Cc2ccc(CO)cc2F)S(=O)(=O)c2ccc(Cl)cc2)C1- InChIKey
MOSGUXPHAQTHNS-HXUWFJFHSA-N- Molecular formula
- C22H26ClFN2O4S
- Average molar mass
- 469 g/mol
- Monoisotopic mass
- 468.1285843
Names & identifiers
- Preferred name
- 4-Chloro-N-((R)-5,5-dimethyl-2-oxo-azepan-3-yl)-N-(2-fluoro-4-hydroxymethyl-benzyl)-benzenesulfonamide
- IUPAC
- 4-chloro-N-[(3R)-5,5-dimethyl-2-oxoazepan-3-yl]-N-[[2-fluoro-4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
Names & synonyms
SCHEMBL5562726MOSGUXPHAQTHNS-HXUWFJFHSA-N4-Chloro-N-((R)-5,5-dimethyl-2-oxo-azepan-3-yl)-N-(2-fluoro-4-hydroxymethyl-benzyl)-benzenesulfonamide
Database identifiers
- PubChem CID
- 11619733
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 722
Related reactions
1 records
Compound notes
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