(Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide

C23H20Cl2N4O5S — CID 135526817

About (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide

(Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide (PubChem CID 135526817) has the molecular formula C23H20Cl2N4O5S and a molecular weight of 535.41 g/mol. Its IUPAC name is (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide
• PubChem CID: 135526817
• Molecular Formula: C23H20Cl2N4O5S
• Molecular Weight: 535.41 g/mol
• Exact Mass: 534.05
• IUPAC Name: (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide
• SMILES: COc1ccc(NC(=O)C(/N=N/c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)=C(\C)O)cc1
• InChI: InChI=1S/C23H20Cl2N4O5S/c1-14(30)22(23(31)26-16-7-10-19(34-2)11-8-16)28-27-18-9-12-20(25)21(13-18)35(32,33)29-17-5-3-15(24)4-6-17/h3-13,29-30H,1-2H3,(H,26,31)/b22-14-,28-27+
• InChIKey: WUBOFOGFHZMCQB-ACYHEVRDSA-N
• XLogP: 6.31
• TPSA: 129.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.41
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide?

The IUPAC name of (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide (CID 135526817) is (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide.

What is the SMILES notation for (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide?

The canonical SMILES for (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide is COc1ccc(NC(=O)C(/N=N/c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)=C(\C)O)cc1.

What is the InChIKey of (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide?

The InChIKey is WUBOFOGFHZMCQB-ACYHEVRDSA-N. The full InChI is InChI=1S/C23H20Cl2N4O5S/c1-14(30)22(23(31)26-16-7-10-19(34-2)11-8-16)28-27-18-9-12-20(25)21(13-18)35(32,33)29-17-5-3-15(24)4-6-17/h3-13,29-30H,1-2H3,(H,26,31)/b22-14-,28-27+.

What are the key properties of (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide?

(Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide has a molecular weight of 535.41 g/mol, XLogP of 6.31, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]diazenyl]-3-hydroxy-N-(4-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 135526817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).