2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide

C17H16F2N2O3S — CID 126796000

IUPAC2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(N2CCC(NS(=O)(=O)c3cccc(F)c3F)C2=O)cc1
InChIInChI=1S/C17H16F2N2O3S/c1-11-5-7-12(8-6-11)21-10-9-14(17(21)22)20-25(23,24)15-4-2-3-13(18)16(15)19/h2-8,14,20H,9-10H2,1H3
InChIKeyCXPLLYYPAWNIEE-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.36
Rot. Bonds4

About 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide

2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 126796000) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID126796000
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(N2CCC(NS(=O)(=O)c3cccc(F)c3F)C2=O)cc1
InChIInChI=1S/C17H16F2N2O3S/c1-11-5-7-12(8-6-11)21-10-9-14(17(21)22)20-25(23,24)15-4-2-3-13(18)16(15)19/h2-8,14,20H,9-10H2,1H3
InChIKeyCXPLLYYPAWNIEE-UHFFFAOYSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide 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 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide (CID 126796000) is 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide is Cc1ccc(N2CCC(NS(=O)(=O)c3cccc(F)c3F)C2=O)cc1.
What is the InChIKey of 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is CXPLLYYPAWNIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-11-5-7-12(8-6-11)21-10-9-14(17(21)22)20-25(23,24)15-4-2-3-13(18)16(15)19/h2-8,14,20H,9-10H2,1H3.
What are the key properties of 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide?
2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 366.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 126796000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).