1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide

C12H13F3N2O3S — CID 168717866

IUPAC1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCc1ccc(C(F)(F)F)c(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H13F3N2O3S/c1-7-2-3-9(12(13,14)15)10(4-7)17-6-8(5-11(17)18)21(16,19)20/h2-4,8H,5-6H2,1H3,(H2,16,19,20)
InChIKeyIQMRCWHECPRUOZ-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.41
Rot. Bonds2

About 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide

1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717866) has the molecular formula C12H13F3N2O3S and a molecular weight of 322.31 g/mol. Its IUPAC name is 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717866
Molecular FormulaC12H13F3N2O3S
Molecular Weight322.31 g/mol
Exact Mass322.06
IUPAC Name1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCc1ccc(C(F)(F)F)c(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H13F3N2O3S/c1-7-2-3-9(12(13,14)15)10(4-7)17-6-8(5-11(17)18)21(16,19)20/h2-4,8H,5-6H2,1H3,(H2,16,19,20)
InChIKeyIQMRCWHECPRUOZ-UHFFFAOYSA-N
XLogP1.41
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide 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

4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168659957
4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168717675
4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168684943
1-[2-(hydroxymethyl)-4-methylphenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717669
1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717604
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-[2-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714471
5-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 168719005
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719409

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide (CID 168717866) is 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide is Cc1ccc(C(F)(F)F)c(N2CC(S(N)(=O)=O)CC2=O)c1.
What is the InChIKey of 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is IQMRCWHECPRUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3S/c1-7-2-3-9(12(13,14)15)10(4-7)17-6-8(5-11(17)18)21(16,19)20/h2-4,8H,5-6H2,1H3,(H2,16,19,20).
What are the key properties of 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 322.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).