Basic information
- Standard SMILES
O=S(=O)(Nc1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F)c1ccccc1- InChIKey
VQAKXCDEHRQJCZ-UHFFFAOYSA-N- Molecular formula
- C17H12ClF3N4O2S
- Average molar mass
- 428.8 g/mol
Names & identifiers
- Preferred name
- N-{2-[(3-chlorophenyl)amino]-4-(trifluoromethyl)pyrimidin-5-yl}benzenesulfonamide
- IUPAC
- N-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide
Names & synonyms
N-{2-[(3-chlorophenyl)amino]-4-(trifluoromethyl)pyrimidin-5-yl}benzenesulfonamideSCHEMBL6524750
Database identifiers
- PubChem CID
- 69812166
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 611
Related reactions
2 records
Compound notes
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