Basic information
- CAS
318951-65-4- Standard SMILES
O=S(=O)(c1ccccc1)c1cnn(-c2ccc(F)cc2F)c1-c1ccc(Cl)cc1- InChIKey
VSRKAZVXOTZJOS-UHFFFAOYSA-N- Molecular formula
- C21H13ClF2N2O2S
- Average molar mass
- 430.9 g/mol
Names & identifiers
- Preferred name
- 5-(4-chlorophenyl)-1-(2,4-difluorophenyl)-4-(phenylsulfonyl)-1H-pyrazole
- IUPAC
- 4-(benzenesulfonyl)-5-(4-chlorophenyl)-1-(2,4-difluorophenyl)pyrazole
- English name
- 5-(4-Chlorophenyl)-1-(2,4-difluorophenyl)-1H-pyrazol-4-yl phenyl sulfone
- Molecular formula
- C21H13ClF2N2O2S
- Molecular weight
- 430.85
Names & synonyms
318951-65-44-(benzenesulfonyl)-5-(4-chlorophenyl)-1-(2,4-difluorophenyl)-1H-pyrazole5-(4-chlorophenyl)-1-(2,4-difluorophenyl)-4-(phenylsulfonyl)-1H-pyrazole4-(benzenesulfonyl)-5-(4-chlorophenyl)-1-(2,4-difluorophenyl)pyrazoleOprea1_089478AKOS0050976817H-355S5-(4-Chlorophenyl)-1-(2,4-difluorophenyl)-1H-pyrazol-4-yl phenyl sulfone1H-Pyrazole, 5-(4-chlorophenyl)-1-(2,4-difluorophenyl)-4-(phenylsulfonyl)-
Database identifiers
- CAS
318951-65-4
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 648
Physicochemical properties
- Boiling point
- 594.6 · 594.6±50.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- -5.62 · -5.62±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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