N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide

C21H16Cl5N3O5S — CID 2345083

About N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide

N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide (PubChem CID 2345083) has the molecular formula C21H16Cl5N3O5S and a molecular weight of 599.71 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide
• PubChem CID: 2345083
• Molecular Formula: C21H16Cl5N3O5S
• Molecular Weight: 599.71 g/mol
• Exact Mass: 596.93
• IUPAC Name: N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide
• SMILES: COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)c(Cl)cc2Cl)cc1Cl
• InChI: InChI=1S/C21H16Cl5N3O5S/c1-33-17-8-18(34-2)16(7-12(17)23)29-35(31,32)19-5-10(11(22)6-13(19)24)21(30)28-9-3-14(25)20(27)15(26)4-9/h3-8,29H,27H2,1-2H3,(H,28,30)
• InChIKey: YMDDNGVICGBKEY-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 119.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.71
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide?

The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide (CID 2345083) is N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide.

What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide?

The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)c(Cl)cc2Cl)cc1Cl.

What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide?

The InChIKey is YMDDNGVICGBKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl5N3O5S/c1-33-17-8-18(34-2)16(7-12(17)23)29-35(31,32)19-5-10(11(22)6-13(19)24)21(30)28-9-3-14(25)20(27)15(26)4-9/h3-8,29H,27H2,1-2H3,(H,28,30).

What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide?

N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 599.71 g/mol, XLogP of 6.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2345083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).