1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone

C13H15F2NO3S — CID 63846761

IUPAC1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C13H15F2NO3S/c1-9(17)10-3-2-6-16(8-10)20(18,19)13-7-11(14)4-5-12(13)15/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeySZKPYTXZTHZFQR-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.95
Rot. Bonds3

About 1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone

1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone (PubChem CID 63846761) has the molecular formula C13H15F2NO3S and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone
PubChem CID63846761
Molecular FormulaC13H15F2NO3S
Molecular Weight303.33 g/mol
Exact Mass303.07
IUPAC Name1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C13H15F2NO3S/c1-9(17)10-3-2-6-16(8-10)20(18,19)13-7-11(14)4-5-12(13)15/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeySZKPYTXZTHZFQR-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone
CID 107327681
1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132459
(3R)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 104937173
methyl (3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79031942
N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55815983
methyl 1-(5-amino-2-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 115533406
N-(2,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872989
cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370793
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide
CID 125043565
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 18086440
(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119381535

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone (CID 63846761) is 1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone is CC(=O)C1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone?
The InChIKey is SZKPYTXZTHZFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3S/c1-9(17)10-3-2-6-16(8-10)20(18,19)13-7-11(14)4-5-12(13)15/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone?
1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone has a molecular weight of 303.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone is sourced from PubChem (CID 63846761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).