N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide

C15H17F3N2O3S — CID 45225592

IUPACN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H17F3N2O3S/c1-2-7-24(22,23)19-12-8-14(21)20(10-12)9-11-5-3-4-6-13(11)15(16,17)18/h2-6,12,19H,1,7-10H2
InChIKeyVHLSJGXXOHZNJX-UHFFFAOYSA-N
MW362.37 g/mol
LogP1.91
Rot. Bonds6

About N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide

N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide (PubChem CID 45225592) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide
PubChem CID45225592
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC NameN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H17F3N2O3S/c1-2-7-24(22,23)19-12-8-14(21)20(10-12)9-11-5-3-4-6-13(11)15(16,17)18/h2-6,12,19H,1,7-10H2
InChIKeyVHLSJGXXOHZNJX-UHFFFAOYSA-N
XLogP1.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-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

N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanesulfonamide
CID 42095587
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 45201917
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 56913627
(4R)-4-[[(E)-2-methylbut-2-enyl]amino]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 42245610
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 166031134
1-tert-butyl-3-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]urea
CID 45238724
methyl 4-oxo-4-[[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]butanoate
CID 42304554
[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 168682107
3-methylsulfanyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propanamide
CID 42511312
1-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-propylurea
CID 42567517
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56908965
2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 42147175

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide?
The IUPAC name of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide (CID 45225592) is N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide?
The canonical SMILES for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide?
The InChIKey is VHLSJGXXOHZNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c1-2-7-24(22,23)19-12-8-14(21)20(10-12)9-11-5-3-4-6-13(11)15(16,17)18/h2-6,12,19H,1,7-10H2.
What are the key properties of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide?
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide has a molecular weight of 362.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 45225592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).