N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C13H17FN2O3S — CID 45215695

IUPACN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)15-12-8-13(17)16(9-12)7-6-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3
InChIKeyIRPUGKKNGCEDBK-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.52
Rot. Bonds5

About N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 45215695) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID45215695
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)15-12-8-13(17)16(9-12)7-6-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3
InChIKeyIRPUGKKNGCEDBK-UHFFFAOYSA-N
XLogP0.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 45215695) is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IRPUGKKNGCEDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-20(18,19)15-12-8-13(17)16(9-12)7-6-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3.
What are the key properties of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 300.35 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 45215695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).