2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole

C21H17FN2O2S — CID 2914785

IUPAC2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
SMILESO=S(=O)(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C21H17FN2O2S/c22-19-14-8-7-13-18(19)21-15-20(16-9-3-1-4-10-16)23-24(21)27(25,26)17-11-5-2-6-12-17/h1-14,21H,15H2
InChIKeyHDFAPGOPZZINKH-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.37
Rot. Bonds4

About 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole

2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole (PubChem CID 2914785) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
PubChem CID2914785
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC Name2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
SMILESO=S(=O)(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C21H17FN2O2S/c22-19-14-8-7-13-18(19)21-15-20(16-9-3-1-4-10-16)23-24(21)27(25,26)17-11-5-2-6-12-17/h1-14,21H,15H2
InChIKeyHDFAPGOPZZINKH-UHFFFAOYSA-N
XLogP4.37
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole (CID 2914785) is 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole is O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1F.
What is the InChIKey of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
The InChIKey is HDFAPGOPZZINKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c22-19-14-8-7-13-18(19)21-15-20(16-9-3-1-4-10-16)23-24(21)27(25,26)17-11-5-2-6-12-17/h1-14,21H,15H2.
What are the key properties of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole has a molecular weight of 380.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2914785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).