1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone

C13H16FNO3S — CID 63845697

IUPAC1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H16FNO3S/c1-10(16)12-7-4-5-9-15(12)19(17,18)13-8-3-2-6-11(13)14/h2-3,6,8,12H,4-5,7,9H2,1H3
InChIKeyMSSUIXYSHVNRSS-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.96
Rot. Bonds3

About 1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone

1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone (PubChem CID 63845697) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone
PubChem CID63845697
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H16FNO3S/c1-10(16)12-7-4-5-9-15(12)19(17,18)13-8-3-2-6-11(13)14/h2-3,6,8,12H,4-5,7,9H2,1H3
InChIKeyMSSUIXYSHVNRSS-UHFFFAOYSA-N
XLogP1.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone (CID 63845697) is 1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone is CC(=O)C1CCCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone?
The InChIKey is MSSUIXYSHVNRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c1-10(16)12-7-4-5-9-15(12)19(17,18)13-8-3-2-6-11(13)14/h2-3,6,8,12H,4-5,7,9H2,1H3.
What are the key properties of 1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone?
1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone has a molecular weight of 285.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)sulfonylpiperidin-2-yl]ethanone is sourced from PubChem (CID 63845697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).