1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone

C15H20FNO3S — CID 107327681

IUPAC1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(S(=O)(=O)c2c(C)cc(F)cc2C)C1
InChIInChI=1S/C15H20FNO3S/c1-10-7-14(16)8-11(2)15(10)21(19,20)17-6-4-5-13(9-17)12(3)18/h7-8,13H,4-6,9H2,1-3H3
InChIKeyUZJJZXXIPOXDJI-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.43
Rot. Bonds3

About 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone

1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone (PubChem CID 107327681) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone
PubChem CID107327681
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(S(=O)(=O)c2c(C)cc(F)cc2C)C1
InChIInChI=1S/C15H20FNO3S/c1-10-7-14(16)8-11(2)15(10)21(19,20)17-6-4-5-13(9-17)12(3)18/h7-8,13H,4-6,9H2,1-3H3
InChIKeyUZJJZXXIPOXDJI-UHFFFAOYSA-N
XLogP2.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine-3-carboximidamide
CID 107329515
1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone
CID 63846761
N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide
CID 107327407
ethyl (3S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxylate
CID 7299644
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3518998
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106094
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
(3S)-N-(1-methylpiperidin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 99967793
[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 107326673
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone (CID 107327681) is 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone is CC(=O)C1CCCN(S(=O)(=O)c2c(C)cc(F)cc2C)C1.
What is the InChIKey of 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone?
The InChIKey is UZJJZXXIPOXDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-10-7-14(16)8-11(2)15(10)21(19,20)17-6-4-5-13(9-17)12(3)18/h7-8,13H,4-6,9H2,1-3H3.
What are the key properties of 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone?
1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone has a molecular weight of 313.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]ethanone is sourced from PubChem (CID 107327681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).