Basic information
- Standard SMILES
O=S(=O)(NC[C@@H](Oc1ccc(C(F)(F)F)cc1)[C@H]1CCNC1)c1ccc(-c2cnco2)cc1- InChIKey
OWPCFWWJRCSHKI-HRAATJIYSA-N- Molecular formula
- C22H22F3N3O4S
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.12831185
Names & identifiers
- Preferred name
- 4-Oxazol-5-yl-N-[(S)-2-(S)-pyrrolidin-3-yl-2-(4-trifluoromethylphenoxy)ethyl]benzenesulfonamide
- IUPAC
- 4-(1,3-oxazol-5-yl)-N-[(2S)-2-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
Names & synonyms
4-Oxazol-5-yl-N-[(S)-2-(S)-pyrrolidin-3-yl-2-(4-trifluoromethylphenoxy)ethyl]benzenesulfonamideSCHEMBL9107986
Database identifiers
- PubChem CID
- 67775858
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 717
Related reactions
2 records
Compound notes
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