1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone

C13H15F2NO3S — CID 63845360

IUPAC1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO3S/c1-9(17)12-4-2-3-7-16(12)20(18,19)13-6-5-10(14)8-11(13)15/h5-6,8,12H,2-4,7H2,1H3
InChIKeyPYGJOQFQGWJGBX-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.10
Rot. Bonds3

About 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone

1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone (PubChem CID 63845360) has the molecular formula C13H15F2NO3S and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone
PubChem CID63845360
Molecular FormulaC13H15F2NO3S
Molecular Weight303.33 g/mol
Exact Mass303.07
IUPAC Name1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO3S/c1-9(17)12-4-2-3-7-16(12)20(18,19)13-6-5-10(14)8-11(13)15/h5-6,8,12H,2-4,7H2,1H3
InChIKeyPYGJOQFQGWJGBX-UHFFFAOYSA-N
XLogP2.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone (CID 63845360) is 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone is CC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone?
The InChIKey is PYGJOQFQGWJGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3S/c1-9(17)12-4-2-3-7-16(12)20(18,19)13-6-5-10(14)8-11(13)15/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone?
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone has a molecular weight of 303.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]ethanone is sourced from PubChem (CID 63845360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).