4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one

C14H16F3NO3S — CID 67311054

IUPAC4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
SMILESCC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CNC(=O)C1
InChIInChI=1S/C14H16F3NO3S/c1-9(10-5-13(19)18-7-10)8-22(20,21)12-4-2-3-11(6-12)14(15,16)17/h2-4,6,9-10H,5,7-8H2,1H3,(H,18,19)
InChIKeyZBTWWJQMKCCGSR-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.25
Rot. Bonds4

About 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one

4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one (PubChem CID 67311054) has the molecular formula C14H16F3NO3S and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
PubChem CID67311054
Molecular FormulaC14H16F3NO3S
Molecular Weight335.35 g/mol
Exact Mass335.08
IUPAC Name4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
SMILESCC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CNC(=O)C1
InChIInChI=1S/C14H16F3NO3S/c1-9(10-5-13(19)18-7-10)8-22(20,21)12-4-2-3-11(6-12)14(15,16)17/h2-4,6,9-10H,5,7-8H2,1H3,(H,18,19)
InChIKeyZBTWWJQMKCCGSR-UHFFFAOYSA-N
XLogP2.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(o-Fluorophenyl)-3-methyl-5-p-toluenesulfonyl-pyrrolin-2-one
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CID 45504257
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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one (CID 67311054) is 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one is CC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CNC(=O)C1.
What is the InChIKey of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
The InChIKey is ZBTWWJQMKCCGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3S/c1-9(10-5-13(19)18-7-10)8-22(20,21)12-4-2-3-11(6-12)14(15,16)17/h2-4,6,9-10H,5,7-8H2,1H3,(H,18,19).
What are the key properties of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one has a molecular weight of 335.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 67311054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).