4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide

C22H19Cl2N3O3S2 — CID 5105347

About 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide

4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 5105347) has the molecular formula C22H19Cl2N3O3S2 and a molecular weight of 508.45 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 5105347
• Molecular Formula: C22H19Cl2N3O3S2
• Molecular Weight: 508.45 g/mol
• Exact Mass: 507.02
• IUPAC Name: 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
• SMILES: C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1
• InChI: InChI=1S/C22H19Cl2N3O3S2/c1-3-11-27(12-4-2)32(29,30)17-8-5-15(6-9-17)21(28)26-22-25-20(14-31-22)18-10-7-16(23)13-19(18)24/h3-10,13-14H,1-2,11-12H2,(H,25,26,28)
• InChIKey: SLCXDTHCQMNUHS-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.45
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide (CID 5105347) is 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1.

What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is SLCXDTHCQMNUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O3S2/c1-3-11-27(12-4-2)32(29,30)17-8-5-15(6-9-17)21(28)26-22-25-20(14-31-22)18-10-7-16(23)13-19(18)24/h3-10,13-14H,1-2,11-12H2,(H,25,26,28).

What are the key properties of 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?

4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 508.45 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5105347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).