2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide

C24H21ClN4O4S — CID 4319375

About 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 4319375) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide
• PubChem CID: 4319375
• Molecular Formula: C24H21ClN4O4S
• Molecular Weight: 496.98 g/mol
• Exact Mass: 496.10
• IUPAC Name: 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide
• SMILES: CCc1ccc2[nH]c(O)c(/N=N/C(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2c1
• InChI: InChI=1S/C24H21ClN4O4S/c1-2-16-11-12-21-20(13-16)23(24(31)26-21)28-27-22(30)15-29(18-8-6-7-17(25)14-18)34(32,33)19-9-4-3-5-10-19/h3-14,26,31H,2,15H2,1H3/b28-27+
• InChIKey: HLUWVMCWFHGSCJ-BYYHNAKLSA-N
• XLogP: 5.60
• TPSA: 115.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.98
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 4319375) is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide is CCc1ccc2[nH]c(O)c(/N=N/C(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2c1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide?

The InChIKey is HLUWVMCWFHGSCJ-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-2-16-11-12-21-20(13-16)23(24(31)26-21)28-27-22(30)15-29(18-8-6-7-17(25)14-18)34(32,33)19-9-4-3-5-10-19/h3-14,26,31H,2,15H2,1H3/b28-27+.

What are the key properties of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide?

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 496.98 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 4319375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).