2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one

C15H18FNO3S — CID 79539689

IUPAC2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H18FNO3S/c16-12-6-1-2-9-15(12)21(19,20)17-10-4-7-13(17)11-5-3-8-14(11)18/h1-2,6,9,11,13H,3-5,7-8,10H2
InChIKeyUIDLDTIOOYRQGN-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.35
Rot. Bonds3

About 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one

2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79539689) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79539689
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC Name2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H18FNO3S/c16-12-6-1-2-9-15(12)21(19,20)17-10-4-7-13(17)11-5-3-8-14(11)18/h1-2,6,9,11,13H,3-5,7-8,10H2
InChIKeyUIDLDTIOOYRQGN-UHFFFAOYSA-N
XLogP2.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 61045786
2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79535712
1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine
CID 62122855
2-[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 136531002
1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 78989322
(4aS,8aS)-1-(benzenesulfonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 6923245
1-(benzenesulfonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 555825
2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
CID 104709969
(2S)-2-[(2R)-1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 97319363
1-(2-fluorophenyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070159
1-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79545883
2-(3-bromopropyl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 80674099

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one (CID 79539689) is 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is UIDLDTIOOYRQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3S/c16-12-6-1-2-9-15(12)21(19,20)17-10-4-7-13(17)11-5-3-8-14(11)18/h1-2,6,9,11,13H,3-5,7-8,10H2.
What are the key properties of 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 311.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79539689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).