1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one

C13H16FNO3S — CID 57396619

IUPAC1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO3S/c1-2-13(16)15-8-7-12(9-15)19(17,18)11-5-3-10(14)4-6-11/h3-6,12H,2,7-9H2,1H3
InChIKeyZEWDJKACTOAAPM-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.61
Rot. Bonds3

About 1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one

1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one (PubChem CID 57396619) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
PubChem CID57396619
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO3S/c1-2-13(16)15-8-7-12(9-15)19(17,18)11-5-3-10(14)4-6-11/h3-6,12H,2,7-9H2,1H3
InChIKeyZEWDJKACTOAAPM-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 145184231
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one
CID 90589548
(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 134374430
tert-butyl 3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylate
CID 72660054
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
2-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90593100
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
2-ethyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]butan-1-one
CID 90593118
1-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(4-propoxyphenyl)propan-1-one
CID 99882953
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one (CID 57396619) is 1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one?
The InChIKey is ZEWDJKACTOAAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c1-2-13(16)15-8-7-12(9-15)19(17,18)11-5-3-10(14)4-6-11/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one?
1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one has a molecular weight of 285.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 57396619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).