1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one

C11H10F3NO3S — CID 68722625

IUPAC1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)8-1-3-10(4-2-8)19(17,18)15-6-5-9(16)7-15/h1-4H,5-7H2
InChIKeyJNZKGEFSVYHZQF-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.67
Rot. Bonds2

About 1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one

1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one (PubChem CID 68722625) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
PubChem CID68722625
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)8-1-3-10(4-2-8)19(17,18)15-6-5-9(16)7-15/h1-4H,5-7H2
InChIKeyJNZKGEFSVYHZQF-UHFFFAOYSA-N
XLogP1.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tosylpiperidin-4-one
CID 560957
1-[3-(Trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 737167
1-(4-Tolylsulfonyl)pyrrolidin-3-one
CID 535802
5-Methyl-1-((4-methylphenyl)sulfonyl)-1,6-dihydro-3(2H)-pyridinone
CID 677384
3-Fluoro-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 89797961
N-Benzenesulfonylpyrrolidin-3-one
CID 535752
1-(4-Methylbenzenesulfonyl)piperidin-3-one
CID 11010489
N,4-Dimethyl-N-(2-oxopropyl)benzenesulfonamide
CID 593183
(2S)-2-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 49852165
3-Fluoro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 86238190
(2S)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)pyrrolidine
CID 91141571
(4R)-1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolidin-2-one
CID 125483189

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one (CID 68722625) is 1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one is O=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one?
The InChIKey is JNZKGEFSVYHZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c12-11(13,14)8-1-3-10(4-2-8)19(17,18)15-6-5-9(16)7-15/h1-4H,5-7H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one?
1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one has a molecular weight of 293.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one is sourced from PubChem (CID 68722625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).