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

C17H15FN2O2S2 — CID 2808054

IUPAC3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole
SMILESCSc1cc(-c2ccc(F)cc2)nn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H15FN2O2S2/c1-12-3-9-15(10-4-12)24(21,22)20-17(23-2)11-16(19-20)13-5-7-14(18)8-6-13/h3-11H,1-2H3
InChIKeyUUBFTOLMZFDUCH-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.96
Rot. Bonds4

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

3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole (PubChem CID 2808054) has the molecular formula C17H15FN2O2S2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole
PubChem CID2808054
Molecular FormulaC17H15FN2O2S2
Molecular Weight362.45 g/mol
Exact Mass362.06
IUPAC Name3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole
SMILESCSc1cc(-c2ccc(F)cc2)nn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H15FN2O2S2/c1-12-3-9-15(10-4-12)24(21,22)20-17(23-2)11-16(19-20)13-5-7-14(18)8-6-13/h3-11H,1-2H3
InChIKeyUUBFTOLMZFDUCH-UHFFFAOYSA-N
XLogP3.96
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole?
The IUPAC name of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole (CID 2808054) is 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole is CSc1cc(-c2ccc(F)cc2)nn1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole?
The InChIKey is UUBFTOLMZFDUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S2/c1-12-3-9-15(10-4-12)24(21,22)20-17(23-2)11-16(19-20)13-5-7-14(18)8-6-13/h3-11H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole?
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole has a molecular weight of 362.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazole is sourced from PubChem (CID 2808054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).