N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide

C22H18Cl4N2O4S — CID 126063511

About N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide (PubChem CID 126063511) has the molecular formula C22H18Cl4N2O4S and a molecular weight of 548.28 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
• PubChem CID: 126063511
• Molecular Formula: C22H18Cl4N2O4S
• Molecular Weight: 548.28 g/mol
• Exact Mass: 545.97
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C22H18Cl4N2O4S/c1-32-21-9-6-17(25)11-20(21)27-22(29)13-28(12-14-2-3-16(24)10-19(14)26)33(30,31)18-7-4-15(23)5-8-18/h2-11H,12-13H2,1H3,(H,27,29)
• InChIKey: IRHXOFNVYFNTRH-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.28
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide (CID 126063511) is N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

The InChIKey is IRHXOFNVYFNTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl4N2O4S/c1-32-21-9-6-17(25)11-20(21)27-22(29)13-28(12-14-2-3-16(24)10-19(14)26)33(30,31)18-7-4-15(23)5-8-18/h2-11H,12-13H2,1H3,(H,27,29).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide has a molecular weight of 548.28 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 126063511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).