N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide

C24H25N3O8S2 — CID 25046261

About N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide

N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 25046261) has the molecular formula C24H25N3O8S2 and a molecular weight of 547.61 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
• PubChem CID: 25046261
• Molecular Formula: C24H25N3O8S2
• Molecular Weight: 547.61 g/mol
• Exact Mass: 547.11
• IUPAC Name: N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
• SMILES: COC(CN(C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O)S(=O)(=O)c1ccc2ccccc2c1)OC
• InChI: InChI=1S/C24H25N3O8S2/c1-34-23(35-2)15-26(37(32,33)20-10-7-16-5-3-4-6-17(16)13-20)21-14-22(28)27(24(21)29)18-8-11-19(12-9-18)36(25,30)31/h3-13,21,23H,14-15H2,1-2H3,(H2,25,30,31)
• InChIKey: BGJLWCDQEHQSSQ-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 153.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.61
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 25046261) is N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide.

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

The canonical SMILES for N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide is COC(CN(C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O)S(=O)(=O)c1ccc2ccccc2c1)OC.

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

The InChIKey is BGJLWCDQEHQSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O8S2/c1-34-23(35-2)15-26(37(32,33)20-10-7-16-5-3-4-6-17(16)13-20)21-14-22(28)27(24(21)29)18-8-11-19(12-9-18)36(25,30)31/h3-13,21,23H,14-15H2,1-2H3,(H2,25,30,31).

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

N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 547.61 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 25046261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).