2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide

C21H14Cl6N2O5S — CID 5178353

About 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide

2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 5178353) has the molecular formula C21H14Cl6N2O5S and a molecular weight of 619.14 g/mol. Its IUPAC name is 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide
• PubChem CID: 5178353
• Molecular Formula: C21H14Cl6N2O5S
• Molecular Weight: 619.14 g/mol
• Exact Mass: 615.88
• IUPAC Name: 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide
• SMILES: COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c(Cl)cc2Cl)cc1Cl
• InChI: InChI=1S/C21H14Cl6N2O5S/c1-33-18-8-19(34-2)17(7-14(18)26)29-35(31,32)20-3-9(10(22)4-15(20)27)21(30)28-16-6-12(24)11(23)5-13(16)25/h3-8,29H,1-2H3,(H,28,30)
• InChIKey: XZEGQFSRQLBXAB-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 93.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.14
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide?

The IUPAC name of 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide (CID 5178353) is 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide.

What is the SMILES notation for 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide?

The canonical SMILES for 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c(Cl)cc2Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide?

The InChIKey is XZEGQFSRQLBXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl6N2O5S/c1-33-18-8-19(34-2)17(7-14(18)26)29-35(31,32)20-3-9(10(22)4-15(20)27)21(30)28-16-6-12(24)11(23)5-13(16)25/h3-8,29H,1-2H3,(H,28,30).

What are the key properties of 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide?

2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 619.14 g/mol, XLogP of 7.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 5178353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).