1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone

C17H17FN2O3S — CID 75517518

IUPAC1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone
SMILESO=C(CC1CCCN1S(=O)(=O)c1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c18-14-7-5-13(6-8-14)17(21)11-15-3-2-10-20(15)24(22,23)16-4-1-9-19-12-16/h1,4-9,12,15H,2-3,10-11H2
InChIKeyRJAWCNJKHLTRBO-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.65
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone

1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone (PubChem CID 75517518) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone
PubChem CID75517518
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone
SMILESO=C(CC1CCCN1S(=O)(=O)c1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c18-14-7-5-13(6-8-14)17(21)11-15-3-2-10-20(15)24(22,23)16-4-1-9-19-12-16/h1,4-9,12,15H,2-3,10-11H2
InChIKeyRJAWCNJKHLTRBO-UHFFFAOYSA-N
XLogP2.65
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone
CID 75517519
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
CID 79538362
4-[(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]sulfonylbutanenitrile
CID 97340131
1-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546295
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole
CID 124968551
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
3-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonylbenzoic acid
CID 110607825
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone (CID 75517518) is 1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone is O=C(CC1CCCN1S(=O)(=O)c1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone?
The InChIKey is RJAWCNJKHLTRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-14-7-5-13(6-8-14)17(21)11-15-3-2-10-20(15)24(22,23)16-4-1-9-19-12-16/h1,4-9,12,15H,2-3,10-11H2.
What are the key properties of 1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone?
1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone has a molecular weight of 348.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 75517518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).