5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole

C22H17FN2O2S — CID 135029088

IUPAC5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)cc2-c2ccccc2F)cc1
InChIInChI=1S/C22H17FN2O2S/c1-16-11-13-18(14-12-16)28(26,27)25-22(19-9-5-6-10-20(19)23)15-21(24-25)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyIWMGWPNWCFHXHK-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.90
Rot. Bonds4

About 5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole

5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole (PubChem CID 135029088) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
PubChem CID135029088
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)cc2-c2ccccc2F)cc1
InChIInChI=1S/C22H17FN2O2S/c1-16-11-13-18(14-12-16)28(26,27)25-22(19-9-5-6-10-20(19)23)15-21(24-25)17-7-3-2-4-8-17/h2-15H,1H3
InChIKeyIWMGWPNWCFHXHK-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The IUPAC name of 5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole (CID 135029088) is 5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The canonical SMILES for 5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole is Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)cc2-c2ccccc2F)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
The InChIKey is IWMGWPNWCFHXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-16-11-13-18(14-12-16)28(26,27)25-22(19-9-5-6-10-20(19)23)15-21(24-25)17-7-3-2-4-8-17/h2-15H,1H3.
What are the key properties of 5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole?
5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-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 5-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole is sourced from PubChem (CID 135029088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).