3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide

C17H15N3O5S — CID 1136487

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1
InChIInChI=1S/C17H15N3O5S/c18-26(24,25)14-6-4-12(5-7-14)19-17(23)11-2-1-3-13(10-11)20-15(21)8-9-16(20)22/h1-7,10H,8-9H2,(H,19,23)(H2,18,24,25)
InChIKeyPCXIRNWRIJAIPA-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.24
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide (PubChem CID 1136487) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide
PubChem CID1136487
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1
InChIInChI=1S/C17H15N3O5S/c18-26(24,25)14-6-4-12(5-7-14)19-17(23)11-2-1-3-13(10-11)20-15(21)8-9-16(20)22/h1-7,10H,8-9H2,(H,19,23)(H2,18,24,25)
InChIKeyPCXIRNWRIJAIPA-UHFFFAOYSA-N
XLogP1.24
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide (CID 1136487) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is PCXIRNWRIJAIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c18-26(24,25)14-6-4-12(5-7-14)19-17(23)11-2-1-3-13(10-11)20-15(21)8-9-16(20)22/h1-7,10H,8-9H2,(H,19,23)(H2,18,24,25).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 373.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 1136487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).