3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole

C11H10F2N2O2S — CID 161296830

IUPAC3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole
SMILESCCS(=O)(=O)n1ccc(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H10F2N2O2S/c1-2-18(16,17)15-4-3-11(14-15)8-5-9(12)7-10(13)6-8/h3-7H,2H2,1H3
InChIKeyVHBWGMYDTVEUPL-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.03
Rot. Bonds3

About 3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole

3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole (PubChem CID 161296830) has the molecular formula C11H10F2N2O2S and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole
PubChem CID161296830
Molecular FormulaC11H10F2N2O2S
Molecular Weight272.28 g/mol
Exact Mass272.04
IUPAC Name3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole
SMILESCCS(=O)(=O)n1ccc(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H10F2N2O2S/c1-2-18(16,17)15-4-3-11(14-15)8-5-9(12)7-10(13)6-8/h3-7H,2H2,1H3
InChIKeyVHBWGMYDTVEUPL-UHFFFAOYSA-N
XLogP2.03
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole?
The IUPAC name of 3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole (CID 161296830) is 3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole?
The canonical SMILES for 3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole is CCS(=O)(=O)n1ccc(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of 3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole?
The InChIKey is VHBWGMYDTVEUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S/c1-2-18(16,17)15-4-3-11(14-15)8-5-9(12)7-10(13)6-8/h3-7H,2H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole?
3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole has a molecular weight of 272.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1-ethylsulfonylpyrazole is sourced from PubChem (CID 161296830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).