N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C26H24BrN3O5S — CID 25043929

About N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 25043929) has the molecular formula C26H24BrN3O5S and a molecular weight of 570.47 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

• Compound Name: N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
• PubChem CID: 25043929
• Molecular Formula: C26H24BrN3O5S
• Molecular Weight: 570.47 g/mol
• Exact Mass: 569.06
• IUPAC Name: N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
• SMILES: Cc1cccc(C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)c1
• InChI: InChI=1S/C26H24BrN3O5S/c1-17-3-2-4-19(15-17)25(32)29(14-13-18-5-11-22(12-6-18)36(28,34)35)23-16-24(31)30(26(23)33)21-9-7-20(27)8-10-21/h2-12,15,23H,13-14,16H2,1H3,(H2,28,34,35)
• InChIKey: HNGIQCFGYVSYMB-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 117.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.47
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?

The IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 25043929) is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

What is the SMILES notation for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?

The canonical SMILES for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is Cc1cccc(C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)c1.

What is the InChIKey of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?

The InChIKey is HNGIQCFGYVSYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O5S/c1-17-3-2-4-19(15-17)25(32)29(14-13-18-5-11-22(12-6-18)36(28,34)35)23-16-24(31)30(26(23)33)21-9-7-20(27)8-10-21/h2-12,15,23H,13-14,16H2,1H3,(H2,28,34,35).

What are the key properties of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 570.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 25043929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).