3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole

C22H17FN2O2S — CID 135029075

IUPAC3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccc(F)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H17FN2O2S/c1-16-7-13-20(14-8-16)28(26,27)25-22(18-5-3-2-4-6-18)15-21(24-25)17-9-11-19(23)12-10-17/h2-15H,1H3
InChIKeyXFKCFIMWEVLEII-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.90
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole

3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole (PubChem CID 135029075) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
PubChem CID135029075
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccc(F)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H17FN2O2S/c1-16-7-13-20(14-8-16)28(26,27)25-22(18-5-3-2-4-6-18)15-21(24-25)17-9-11-19(23)12-10-17/h2-15H,1H3
InChIKeyXFKCFIMWEVLEII-UHFFFAOYSA-N
XLogP4.90
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
The IUPAC name of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole (CID 135029075) is 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole is Cc1ccc(S(=O)(=O)n2nc(-c3ccc(F)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
The InChIKey is XFKCFIMWEVLEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-16-7-13-20(14-8-16)28(26,27)25-22(18-5-3-2-4-6-18)15-21(24-25)17-9-11-19(23)12-10-17/h2-15H,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole?
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole has a molecular weight of 392.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole is sourced from PubChem (CID 135029075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).