1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole

C11H11FN2O2S — CID 1094931

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C11H11FN2O2S/c1-8-7-10(3-4-11(8)12)17(15,16)14-6-5-9(2)13-14/h3-7H,1-2H3
InChIKeyXUWYUEFQIIILAQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole

1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole (PubChem CID 1094931) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole
PubChem CID1094931
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C11H11FN2O2S/c1-8-7-10(3-4-11(8)12)17(15,16)14-6-5-9(2)13-14/h3-7H,1-2H3
InChIKeyXUWYUEFQIIILAQ-UHFFFAOYSA-N
XLogP1.88
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole (CID 1094931) is 1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole is Cc1ccn(S(=O)(=O)c2ccc(F)c(C)c2)n1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is XUWYUEFQIIILAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-8-7-10(3-4-11(8)12)17(15,16)14-6-5-9(2)13-14/h3-7H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole?
1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 254.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 1094931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).