4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide

C26H24N4O6S2 — CID 25042087

About 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide

4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide (PubChem CID 25042087) has the molecular formula C26H24N4O6S2 and a molecular weight of 552.63 g/mol. Its IUPAC name is 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
• PubChem CID: 25042087
• Molecular Formula: C26H24N4O6S2
• Molecular Weight: 552.63 g/mol
• Exact Mass: 552.11
• IUPAC Name: 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
• SMILES: NS(=O)(=O)c1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)S(=O)(=O)c3ccccc3)C2=O)cc1
• InChI: InChI=1S/C26H24N4O6S2/c27-37(33,34)20-12-10-19(11-13-20)30-25(31)16-24(26(30)32)29(38(35,36)21-6-2-1-3-7-21)15-14-18-17-28-23-9-5-4-8-22(18)23/h1-13,17,24,28H,14-16H2,(H2,27,33,34)
• InChIKey: DCIBWOOYWMWQFV-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 150.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.63
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?

The IUPAC name of 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide (CID 25042087) is 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide.

What is the SMILES notation for 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?

The canonical SMILES for 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)S(=O)(=O)c3ccccc3)C2=O)cc1.

What is the InChIKey of 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?

The InChIKey is DCIBWOOYWMWQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6S2/c27-37(33,34)20-12-10-19(11-13-20)30-25(31)16-24(26(30)32)29(38(35,36)21-6-2-1-3-7-21)15-14-18-17-28-23-9-5-4-8-22(18)23/h1-13,17,24,28H,14-16H2,(H2,27,33,34).

What are the key properties of 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?

4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 552.63 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 25042087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).