N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide

C21H18ClN3O6S3 — CID 25044940

About N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide

N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 25044940) has the molecular formula C21H18ClN3O6S3 and a molecular weight of 540.04 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
• PubChem CID: 25044940
• Molecular Formula: C21H18ClN3O6S3
• Molecular Weight: 540.04 g/mol
• Exact Mass: 539.00
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
• SMILES: NS(=O)(=O)c1ccc(N2C(=O)CC(N(Cc3ccccc3Cl)S(=O)(=O)c3cccs3)C2=O)cc1
• InChI: InChI=1S/C21H18ClN3O6S3/c22-17-5-2-1-4-14(17)13-24(34(30,31)20-6-3-11-32-20)18-12-19(26)25(21(18)27)15-7-9-16(10-8-15)33(23,28)29/h1-11,18H,12-13H2,(H2,23,28,29)
• InChIKey: IAULRVMWDSYEIQ-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 134.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.04
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 25044940) is N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(Cc3ccccc3Cl)S(=O)(=O)c3cccs3)C2=O)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?

The InChIKey is IAULRVMWDSYEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O6S3/c22-17-5-2-1-4-14(17)13-24(34(30,31)20-6-3-11-32-20)18-12-19(26)25(21(18)27)15-7-9-16(10-8-15)33(23,28)29/h1-11,18H,12-13H2,(H2,23,28,29).

What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?

N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 540.04 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 25044940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).