4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C23H18Cl2N4O4S — CID 16810023

About 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16810023) has the molecular formula C23H18Cl2N4O4S and a molecular weight of 517.39 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 16810023
• Molecular Formula: C23H18Cl2N4O4S
• Molecular Weight: 517.39 g/mol
• Exact Mass: 516.04
• IUPAC Name: 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1
• InChI: InChI=1S/C23H18Cl2N4O4S/c1-29(14-15-5-3-2-4-6-15)34(31,32)18-10-7-16(8-11-18)21(30)26-23-28-27-22(33-23)19-13-17(24)9-12-20(19)25/h2-13H,14H2,1H3,(H,26,28,30)
• InChIKey: RYQZUSAUAVFXGS-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.39
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16810023) is 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1.

What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is RYQZUSAUAVFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O4S/c1-29(14-15-5-3-2-4-6-15)34(31,32)18-10-7-16(8-11-18)21(30)26-23-28-27-22(33-23)19-13-17(24)9-12-20(19)25/h2-13H,14H2,1H3,(H,26,28,30).

What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?

4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 517.39 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16810023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).