2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide

C24H22Cl3N3O5S — CID 126064095

About 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide

2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 126064095) has the molecular formula C24H22Cl3N3O5S and a molecular weight of 570.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
• PubChem CID: 126064095
• Molecular Formula: C24H22Cl3N3O5S
• Molecular Weight: 570.88 g/mol
• Exact Mass: 569.03
• IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
• SMILES: COc1ccc(OC)c(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C24H22Cl3N3O5S/c1-34-20-7-10-23(35-2)17(11-20)13-28-29-24(31)15-30(14-16-3-4-19(26)12-22(16)27)36(32,33)21-8-5-18(25)6-9-21/h3-13H,14-15H2,1-2H3,(H,29,31)/b28-13-
• InChIKey: LVGOJTVTDUVCFH-QDTIIGTASA-N
• XLogP: 5.01
• TPSA: 97.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.88
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide (CID 126064095) is 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide.

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

The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(OC)c(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1.

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

The InChIKey is LVGOJTVTDUVCFH-QDTIIGTASA-N. The full InChI is InChI=1S/C24H22Cl3N3O5S/c1-34-20-7-10-23(35-2)17(11-20)13-28-29-24(31)15-30(14-16-3-4-19(26)12-22(16)27)36(32,33)21-8-5-18(25)6-9-21/h3-13H,14-15H2,1-2H3,(H,29,31)/b28-13-.

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

2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 570.88 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126064095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).