2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

C24H20Cl2N4O3S — CID 92673863

About 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 92673863) has the molecular formula C24H20Cl2N4O3S and a molecular weight of 515.42 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
• PubChem CID: 92673863
• Molecular Formula: C24H20Cl2N4O3S
• Molecular Weight: 515.42 g/mol
• Exact Mass: 514.06
• IUPAC Name: 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
• SMILES: O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1ccnc1
• InChI: InChI=1S/C24H20Cl2N4O3S/c25-19-10-11-23(21(26)14-19)30(34(32,33)20-7-2-1-3-8-20)16-24(31)28-15-18-6-4-5-9-22(18)29-13-12-27-17-29/h1-14,17H,15-16H2,(H,28,31)
• InChIKey: HPNPTSMVXXDIMN-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.42
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (CID 92673863) is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1ccnc1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?

The InChIKey is HPNPTSMVXXDIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3S/c25-19-10-11-23(21(26)14-19)30(34(32,33)20-7-2-1-3-8-20)16-24(31)28-15-18-6-4-5-9-22(18)29-13-12-27-17-29/h1-14,17H,15-16H2,(H,28,31).

What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 515.42 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 92673863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).