4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide

C24H22ClN3O6S2 — CID 25048801

About 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide

4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide (PubChem CID 25048801) has the molecular formula C24H22ClN3O6S2 and a molecular weight of 548.04 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide
• PubChem CID: 25048801
• Molecular Formula: C24H22ClN3O6S2
• Molecular Weight: 548.04 g/mol
• Exact Mass: 547.06
• IUPAC Name: 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide
• SMILES: NS(=O)(=O)c1ccc(CCN(C2CC(=O)N(c3ccccc3)C2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C24H22ClN3O6S2/c25-18-8-12-21(13-9-18)36(33,34)27(15-14-17-6-10-20(11-7-17)35(26,31)32)22-16-23(29)28(24(22)30)19-4-2-1-3-5-19/h1-13,22H,14-16H2,(H2,26,31,32)
• InChIKey: DQLLRRNVFXCRFP-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 134.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.04
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
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-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide?

The IUPAC name of 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide (CID 25048801) is 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide.

What is the SMILES notation for 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide?

The canonical SMILES for 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCN(C2CC(=O)N(c3ccccc3)C2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1.

What is the InChIKey of 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide?

The InChIKey is DQLLRRNVFXCRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O6S2/c25-18-8-12-21(13-9-18)36(33,34)27(15-14-17-6-10-20(11-7-17)35(26,31)32)22-16-23(29)28(24(22)30)19-4-2-1-3-5-19/h1-13,22H,14-16H2,(H2,26,31,32).

What are the key properties of 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide?

4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 548.04 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 25048801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).