2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C25H25Cl2N3O7S2 — CID 43893348

About 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 43893348) has the molecular formula C25H25Cl2N3O7S2 and a molecular weight of 614.53 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
• PubChem CID: 43893348
• Molecular Formula: C25H25Cl2N3O7S2
• Molecular Weight: 614.53 g/mol
• Exact Mass: 613.05
• IUPAC Name: 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
• SMILES: COc1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C25H25Cl2N3O7S2/c1-36-23-10-8-19(16-24(23)39(34,35)29-11-13-37-14-12-29)28-25(31)17-30(22-9-7-18(26)15-21(22)27)38(32,33)20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3,(H,28,31)
• InChIKey: SQPGSKAEQQHMJN-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 122.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.53
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 43893348) is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?

The InChIKey is SQPGSKAEQQHMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O7S2/c1-36-23-10-8-19(16-24(23)39(34,35)29-11-13-37-14-12-29)28-25(31)17-30(22-9-7-18(26)15-21(22)27)38(32,33)20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3,(H,28,31).

What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 614.53 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 43893348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).