Basic information
- Standard SMILES
COc1ccc(F)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1- InChIKey
PMGZKXGKJZFMFP-GFCCVEGCSA-N- Molecular formula
- C20H19F4N3O3S
- Average molar mass
- 457.4 g/mol
- Monoisotopic mass
- 457.1083253
Names & identifiers
- Preferred name
- N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
- IUPAC
- N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
Names & synonyms
CHEMBL1645401SCHEMBL2008107BDBM50417607(r)-1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonic acid [1-(5'-fluoro-2'-methoxy-biphenyl-4-yl)-ethyl]-amideN-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
Database identifiers
- PubChem CID
- 24768971
- ChEMBL
CHEMBL1645401
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 695
Related reactions
1 records
Compound notes
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