4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole

C11H11FN2O2S — CID 64715415

IUPAC4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole
SMILESCn1cc(CS(=O)(=O)c2ccccc2F)cn1
InChIInChI=1S/C11H11FN2O2S/c1-14-7-9(6-13-14)8-17(15,16)11-5-3-2-4-10(11)12/h2-7H,8H2,1H3
InChIKeyFBLHGEBQIQZIJL-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.53
Rot. Bonds3

About 4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole

4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole (PubChem CID 64715415) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole
PubChem CID64715415
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole
SMILESCn1cc(CS(=O)(=O)c2ccccc2F)cn1
InChIInChI=1S/C11H11FN2O2S/c1-14-7-9(6-13-14)8-17(15,16)11-5-3-2-4-10(11)12/h2-7H,8H2,1H3
InChIKeyFBLHGEBQIQZIJL-UHFFFAOYSA-N
XLogP1.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole?
The IUPAC name of 4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole (CID 64715415) is 4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole?
The canonical SMILES for 4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole is Cn1cc(CS(=O)(=O)c2ccccc2F)cn1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole?
The InChIKey is FBLHGEBQIQZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-14-7-9(6-13-14)8-17(15,16)11-5-3-2-4-10(11)12/h2-7H,8H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole?
4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole has a molecular weight of 254.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfonylmethyl]-1-methylpyrazole is sourced from PubChem (CID 64715415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).