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

C24H22N4O7S — CID 121040677

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

2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 121040677) has the molecular formula C24H22N4O7S and a molecular weight of 510.53 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 121040677
• Molecular Formula: C24H22N4O7S
• Molecular Weight: 510.53 g/mol
• Exact Mass: 510.12
• IUPAC Name: 2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: COc1cc(-c2nnc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)o2)cc(OC)c1OC
• InChI: InChI=1S/C24H22N4O7S/c1-32-19-13-15(14-20(33-2)21(19)34-3)23-26-27-24(35-23)25-22(29)17-11-7-8-12-18(17)28-36(30,31)16-9-5-4-6-10-16/h4-14,28H,1-3H3,(H,25,27,29)
• InChIKey: YNNUNUWOKPYWHR-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 141.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.53
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 121040677) is 2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1cc(-c2nnc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)o2)cc(OC)c1OC.

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

The InChIKey is YNNUNUWOKPYWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O7S/c1-32-19-13-15(14-20(33-2)21(19)34-3)23-26-27-24(35-23)25-22(29)17-11-7-8-12-18(17)28-36(30,31)16-9-5-4-6-10-16/h4-14,28H,1-3H3,(H,25,27,29).

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

2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 510.53 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 121040677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).