4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide

C16H17N3O5S2 — CID 5298282

IUPAC4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1
InChIInChI=1S/C16H17N3O5S2/c17-25(21,22)14-7-3-13(4-8-14)19-26(23,24)15-5-1-11(2-6-15)12-9-16(20)18-10-12/h1-8,12,19H,9-10H2,(H,18,20)(H2,17,21,22)
InChIKeyXXPQPLALOMRYEG-UHFFFAOYSA-N
MW395.46 g/mol
LogP0.74
Rot. Bonds5

About 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide

4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 5298282) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID5298282
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC Name4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1
InChIInChI=1S/C16H17N3O5S2/c17-25(21,22)14-7-3-13(4-8-14)19-26(23,24)15-5-1-11(2-6-15)12-9-16(20)18-10-12/h1-8,12,19H,9-10H2,(H,18,20)(H2,17,21,22)
InChIKeyXXPQPLALOMRYEG-UHFFFAOYSA-N
XLogP0.74
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)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 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 5298282) is 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1.
What is the InChIKey of 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is XXPQPLALOMRYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c17-25(21,22)14-7-3-13(4-8-14)19-26(23,24)15-5-1-11(2-6-15)12-9-16(20)18-10-12/h1-8,12,19H,9-10H2,(H,18,20)(H2,17,21,22).
What are the key properties of 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxopyrrolidin-3-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 5298282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).