Basic information
- Standard SMILES
Cc1nn(-c2ccc(CCNC(=O)NS(=O)(=O)c3ccccc3F)cc2)c(C)c1-c1ccccc1- InChIKey
PCDVHJKNPHVKKM-UHFFFAOYSA-N- Molecular formula
- C26H25FN4O3S
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.16314001
Names & identifiers
- Preferred name
- N-[({2-[4-(3,5-Dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino)carbonyl]-2-fluorobenzenesulfonamide
- IUPAC
- 1-[2-[4-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]ethyl]-3-(2-fluorophenyl)sulfonylurea
Names & synonyms
SCHEMBL4446756PCDVHJKNPHVKKM-UHFFFAOYSA-NN-[({2-[4-(3,5-Dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino)carbonyl]-2-fluorobenzenesulfonamide
Database identifiers
- PubChem CID
- 11533294
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 793
Related reactions
2 records
Compound notes
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