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

C14H16F3NO3S — CID 67130429

IUPAC4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
SMILESCC(C)(C1CNC(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3S/c1-13(2,10-7-12(19)18-8-10)22(20,21)11-5-3-4-9(6-11)14(15,16)17/h3-6,10H,7-8H2,1-2H3,(H,18,19)
InChIKeyWIJMAYZWDPVZGK-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.39
Rot. Bonds3

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

4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one (PubChem CID 67130429) has the molecular formula C14H16F3NO3S and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
PubChem CID67130429
Molecular FormulaC14H16F3NO3S
Molecular Weight335.35 g/mol
Exact Mass335.08
IUPAC Name4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
SMILESCC(C)(C1CNC(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3S/c1-13(2,10-7-12(19)18-8-10)22(20,21)11-5-3-4-9(6-11)14(15,16)17/h3-6,10H,7-8H2,1-2H3,(H,18,19)
InChIKeyWIJMAYZWDPVZGK-UHFFFAOYSA-N
XLogP2.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(3-phenylpropyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 67991859
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24979579
5-Tosylpyrrolin-2-one
CID 121218509
2-(1,1-dioxothiolan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 16387946
2-(4-(isopropylsulfonyl)phenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 45504257
3-[3-(Trifluoromethyl)phenyl]sulfinylazepan-2-one
CID 13268922
3-[3-(Trifluoromethyl)phenyl]sulfonylazepan-2-one
CID 13268936
5-Propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one
CID 17882615
N-butyl-2-[4-(trifluoromethylsulfonyl)phenyl]acetamide
CID 17947252
4-[3-(Trifluoromethyl)phenyl]sulfonylazepan-2-one
CID 20448052
4-[3-(Trifluoromethyl)phenyl]sulfinylazepan-2-one
CID 20448096
5-(1-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}ethyl)piperidin-2-one
CID 45255522

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one (CID 67130429) is 4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one is CC(C)(C1CNC(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
The InChIKey is WIJMAYZWDPVZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3S/c1-13(2,10-7-12(19)18-8-10)22(20,21)11-5-3-4-9(6-11)14(15,16)17/h3-6,10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one?
4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one has a molecular weight of 335.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 67130429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).