2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C22H18N4O6S2 — CID 43977226

About 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43977226) has the molecular formula C22H18N4O6S2 and a molecular weight of 498.54 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43977226
• Molecular Formula: C22H18N4O6S2
• Molecular Weight: 498.54 g/mol
• Exact Mass: 498.07
• IUPAC Name: 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)o2)c1
• InChI: InChI=1S/C22H18N4O6S2/c1-33(28,29)17-11-7-8-15(14-17)21-24-25-22(32-21)23-20(27)18-12-5-6-13-19(18)26-34(30,31)16-9-3-2-4-10-16/h2-14,26H,1H3,(H,23,25,27)
• InChIKey: VMEWXMIDZHLEEH-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 148.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.54
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43977226) is 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)o2)c1.

What is the InChIKey of 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is VMEWXMIDZHLEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O6S2/c1-33(28,29)17-11-7-8-15(14-17)21-24-25-22(32-21)23-20(27)18-12-5-6-13-19(18)26-34(30,31)16-9-3-2-4-10-16/h2-14,26H,1H3,(H,23,25,27).

What are the key properties of 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 498.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43977226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).