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

C11H11FN2O2S2 — CID 57184078

IUPAC5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole
SMILESCSn1nc(C)cc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O2S2/c1-8-7-11(14(13-8)17-2)18(15,16)10-5-3-9(12)4-6-10/h3-7H,1-2H3
InChIKeyDKGLDSDGLQLDCY-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.29
Rot. Bonds3

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

5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole (PubChem CID 57184078) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole
PubChem CID57184078
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole
SMILESCSn1nc(C)cc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O2S2/c1-8-7-11(14(13-8)17-2)18(15,16)10-5-3-9(12)4-6-10/h3-7H,1-2H3
InChIKeyDKGLDSDGLQLDCY-UHFFFAOYSA-N
XLogP2.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole (CID 57184078) is 5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole is CSn1nc(C)cc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole?
The InChIKey is DKGLDSDGLQLDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c1-8-7-11(14(13-8)17-2)18(15,16)10-5-3-9(12)4-6-10/h3-7H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole?
5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole has a molecular weight of 286.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-3-methyl-1-methylsulfanylpyrazole is sourced from PubChem (CID 57184078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).