2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide

C22H17Cl5N2O3S — CID 126081065

About 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide

2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 126081065) has the molecular formula C22H17Cl5N2O3S and a molecular weight of 566.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide
• PubChem CID: 126081065
• Molecular Formula: C22H17Cl5N2O3S
• Molecular Weight: 566.72 g/mol
• Exact Mass: 563.94
• IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide
• SMILES: O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C22H17Cl5N2O3S/c23-16-4-6-18(7-5-16)33(31,32)29(12-14-1-8-19(25)21(27)9-14)13-22(30)28-11-15-2-3-17(24)10-20(15)26/h1-10H,11-13H2,(H,28,30)
• InChIKey: WWRMNYZMXPGRCI-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.72
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide?

The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 126081065) is 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide.

What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide?

The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide is O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl.

What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide?

The InChIKey is WWRMNYZMXPGRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl5N2O3S/c23-16-4-6-18(7-5-16)33(31,32)29(12-14-1-8-19(25)21(27)9-14)13-22(30)28-11-15-2-3-17(24)10-20(15)26/h1-10H,11-13H2,(H,28,30).

What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide?

2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 566.72 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 126081065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).