1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone

C12H13F2NO3S — CID 123272044

IUPAC1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CC(F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13F2NO3S/c1-8(16)12-6-10(14)7-15(12)19(17,18)11-4-2-9(13)3-5-11/h2-5,10,12H,6-7H2,1H3
InChIKeyDUZHQWYPEQCOSD-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.52
Rot. Bonds3

About 1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone

1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone (PubChem CID 123272044) has the molecular formula C12H13F2NO3S and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone
PubChem CID123272044
Molecular FormulaC12H13F2NO3S
Molecular Weight289.30 g/mol
Exact Mass289.06
IUPAC Name1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CC(F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13F2NO3S/c1-8(16)12-6-10(14)7-15(12)19(17,18)11-4-2-9(13)3-5-11/h2-5,10,12H,6-7H2,1H3
InChIKeyDUZHQWYPEQCOSD-UHFFFAOYSA-N
XLogP1.52
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Fluorophenyl)sulfonyl]prolinamide
CID 2947537
1-(Benzenesulfonyl)pyrrolidine-2-carboxamide
CID 42925351
N-Benzenesulfonylpyrrolidin-3-one
CID 535752
1-(3,4-Difluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 4964139
(s)-Phenylsulfonyl-prolinamide
CID 25671615
1-(4-fluorobenzenesulfonyl)-N-methylpyrrolidine-2-carboxamide
CID 2948540
(2S)-1-[(4-fluorophenyl)sulfonyl]-2-pyrrolidinecarboxamide
CID 975442
(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2457197
1-(3-Fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 3715497
1-(2,4-Difluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 4988746
Methyl 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 5184191
4-Amino-1-(2-fluorophenyl)sulfonylazepan-3-one
CID 18445247

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone (CID 123272044) is 1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone is CC(=O)C1CC(F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone?
The InChIKey is DUZHQWYPEQCOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3S/c1-8(16)12-6-10(14)7-15(12)19(17,18)11-4-2-9(13)3-5-11/h2-5,10,12H,6-7H2,1H3.
What are the key properties of 1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone?
1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone has a molecular weight of 289.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 123272044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).