Basic information
- Standard SMILES
O=C(c1ccc(-c2ccccn2)cn1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1- InChIKey
WRYBMASXOXAHIH-UHFFFAOYSA-N- Molecular formula
- C22H19F3N4O3S
- Average molar mass
- 476.5 g/mol
Names & identifiers
- Preferred name
- 6'[(4-{[4-(Trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)carbonyl]-2,3'-bipyridine
- IUPAC
- (5-pyridin-2-yl-2-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
Names & synonyms
6'[(4-{[4-(Trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)carbonyl]-2,3'-bipyridineSCHEMBL1948243
Database identifiers
- PubChem CID
- 44612079
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 773
Related reactions
2 records
Compound notes
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