3-Phenyl-4-(phenylsulfonyl)-4,5-dihydro-3h-pyrazole
Basic information
- CAS
93733-24-5- Standard SMILES
O=S(=O)(c1ccccc1)C1CN=NC1c1ccccc1- InChIKey
QCEFRMUJCOPRJA-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.07759887
Names & identifiers
- Preferred name
- 3-Phenyl-4-(phenylsulfonyl)-4,5-dihydro-3h-pyrazole
- IUPAC
- 4-(benzenesulfonyl)-3-phenyl-4,5-dihydro-3H-pyrazole
Names & synonyms
3-phenyl-4-(phenylsulfonyl)-4,5-dihydro-3h-pyrazole93733-24-54-(benzenesulfonyl)-3-phenyl-4,5-dihydro-3H-pyrazoleNSC140305DTXSID10300987NSC-140305DS-0048673H-pyrazole,4,5-dihydro-3-phenyl-4-(phenylsulfonyl)-
Database identifiers
- CAS
93733-24-5- PubChem CID
- 284477
- DTXSID
DTXSID10300987
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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