(E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide

C24H23ClN4O5S — CID 135675592

About (E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide

(E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide (PubChem CID 135675592) has the molecular formula C24H23ClN4O5S and a molecular weight of 514.99 g/mol. Its IUPAC name is (E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide.

Molecular Properties

• Compound Name: (E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide
• PubChem CID: 135675592
• Molecular Formula: C24H23ClN4O5S
• Molecular Weight: 514.99 g/mol
• Exact Mass: 514.11
• IUPAC Name: (E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide
• SMILES: COc1ccccc1NS(=O)(=O)c1cc(/N=N/C(C(=O)Nc2ccc(Cl)cc2)=C(\C)O)ccc1C
• InChI: InChI=1S/C24H23ClN4O5S/c1-15-8-11-19(14-22(15)35(32,33)29-20-6-4-5-7-21(20)34-3)27-28-23(16(2)30)24(31)26-18-12-9-17(25)10-13-18/h4-14,29-30H,1-3H3,(H,26,31)/b23-16+,28-27+
• InChIKey: PBMOBTDPKWGVHN-WDAJKHRISA-N
• XLogP: 5.97
• 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	514.99
LogP ≤ 5	5.97
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 (E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide?

The IUPAC name of (E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide (CID 135675592) is (E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide.

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

The canonical SMILES for (E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide is COc1ccccc1NS(=O)(=O)c1cc(/N=N/C(C(=O)Nc2ccc(Cl)cc2)=C(\C)O)ccc1C.

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

The InChIKey is PBMOBTDPKWGVHN-WDAJKHRISA-N. The full InChI is InChI=1S/C24H23ClN4O5S/c1-15-8-11-19(14-22(15)35(32,33)29-20-6-4-5-7-21(20)34-3)27-28-23(16(2)30)24(31)26-18-12-9-17(25)10-13-18/h4-14,29-30H,1-3H3,(H,26,31)/b23-16+,28-27+.

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

(E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide has a molecular weight of 514.99 g/mol, XLogP of 5.97, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide is sourced from PubChem (CID 135675592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).