2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone

C14H18FNO3S — CID 75517519

IUPAC2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone
SMILESCCS(=O)(=O)N1CCCC1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3S/c1-2-20(18,19)16-9-3-4-13(16)10-14(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3
InChIKeyFMQSVAAZWCEJDY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.21
Rot. Bonds5

About 2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone

2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone (PubChem CID 75517519) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone
PubChem CID75517519
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Name2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone
SMILESCCS(=O)(=O)N1CCCC1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3S/c1-2-20(18,19)16-9-3-4-13(16)10-14(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3
InChIKeyFMQSVAAZWCEJDY-UHFFFAOYSA-N
XLogP2.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]sulfonylbutanenitrile
CID 97340131
1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone
CID 75517518
2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid
CID 61372468
2-[(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 97083981
N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
CID 75448267
tert-butyl 2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724029
1-(4-fluorophenyl)-2-pyrrolidin-1-ylsulfonylethanone
CID 16727412
1-(4-fluorophenyl)-2-[(2S)-1-(3-methyltriazole-4-carbonyl)pyrrolidin-2-yl]ethanone
CID 124740123
1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone
CID 120854199
1-(4-fluorophenyl)-2-[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]ethanone
CID 124623314
2-[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanone
CID 124735961
2-[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanone
CID 124735960

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone (CID 75517519) is 2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone is CCS(=O)(=O)N1CCCC1CC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone?
The InChIKey is FMQSVAAZWCEJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c1-2-20(18,19)16-9-3-4-13(16)10-14(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of 2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone?
2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 75517519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).