Basic information
- Standard SMILES
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2C)cn1- InChIKey
XZQDFHOEWRVSKV-UHFFFAOYSA-N- Molecular formula
- C19H20F3N3O3S
- Average molar mass
- 427.4 g/mol
Names & identifiers
- Preferred name
- (6-Methyl-3-pyridinyl)-[2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
- IUPAC
- (6-methyl-3-pyridinyl)-[2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
Database identifiers
- PubChem CID
- 72234636
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 687
Related reactions
1 records
Compound notes
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