2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide

C23H20Cl4N2O3S2 — CID 43882139

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 43882139) has the molecular formula C23H20Cl4N2O3S2 and a molecular weight of 578.37 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
• PubChem CID: 43882139
• Molecular Formula: C23H20Cl4N2O3S2
• Molecular Weight: 578.37 g/mol
• Exact Mass: 575.97
• IUPAC Name: 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
• SMILES: O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C23H20Cl4N2O3S2/c24-18-10-9-16(13-20(18)26)15-33-12-11-28-22(30)14-29(21-8-4-7-19(25)23(21)27)34(31,32)17-5-2-1-3-6-17/h1-10,13H,11-12,14-15H2,(H,28,30)
• InChIKey: CGSCQGYPOMYTNY-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.37
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide (CID 43882139) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide is O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?

The InChIKey is CGSCQGYPOMYTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl4N2O3S2/c24-18-10-9-16(13-20(18)26)15-33-12-11-28-22(30)14-29(21-8-4-7-19(25)23(21)27)34(31,32)17-5-2-1-3-6-17/h1-10,13H,11-12,14-15H2,(H,28,30).

What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 578.37 g/mol, XLogP of 6.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 43882139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).