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

C22H16Cl2N4O4S — CID 16821748

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

N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 16821748) has the molecular formula C22H16Cl2N4O4S and a molecular weight of 503.37 g/mol. Its IUPAC name is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
• PubChem CID: 16821748
• Molecular Formula: C22H16Cl2N4O4S
• Molecular Weight: 503.37 g/mol
• Exact Mass: 502.03
• IUPAC Name: N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
• SMILES: CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1
• InChI: InChI=1S/C22H16Cl2N4O4S/c1-28(16-5-3-2-4-6-16)33(30,31)17-10-7-14(8-11-17)20(29)25-22-27-26-21(32-22)18-13-15(23)9-12-19(18)24/h2-13H,1H3,(H,25,27,29)
• InChIKey: PWULFZSAYWHVNU-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.37
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 16821748) is N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

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

The canonical SMILES for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1.

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

The InChIKey is PWULFZSAYWHVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O4S/c1-28(16-5-3-2-4-6-16)33(30,31)17-10-7-14(8-11-17)20(29)25-22-27-26-21(32-22)18-13-15(23)9-12-19(18)24/h2-13H,1H3,(H,25,27,29).

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

N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 503.37 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 16821748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).