Basic information
- Standard SMILES
NC(=O)[C@@H]1CCCCC[C@@H]1N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1- InChIKey
PCXDLXNCXKPOSL-UXHICEINSA-N- Molecular formula
- C22H24ClF3N2O3S
- Average molar mass
- 489 g/mol
Names & identifiers
- Preferred name
- cis-2-[(4-Chlorobenzenesulfonyl)-(4-trifluoromethyl-benzyl)-amino]-cycloheptanecarboxylic acid amide
- IUPAC
- cis-(1R,2S)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]cycloheptane-1-carboxamide
Names & synonyms
cis-2-[(4-Chlorobenzenesulfonyl)-(4-trifluoromethyl-benzyl)-amino]-cycloheptanecarboxylic acid amideSCHEMBL6076804
Database identifiers
- PubChem CID
- 69655570
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 728
Related reactions
1 records
Compound notes
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