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

C24H21FN4O7S — CID 121041911

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

3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 121041911) has the molecular formula C24H21FN4O7S and a molecular weight of 528.52 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 121041911
• Molecular Formula: C24H21FN4O7S
• Molecular Weight: 528.52 g/mol
• Exact Mass: 528.11
• IUPAC Name: 3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: COc1cc(-c2nnc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)o2)cc(OC)c1OC
• InChI: InChI=1S/C24H21FN4O7S/c1-33-19-12-15(13-20(34-2)21(19)35-3)23-27-28-24(36-23)26-22(30)14-5-4-6-17(11-14)29-37(31,32)18-9-7-16(25)8-10-18/h4-13,29H,1-3H3,(H,26,28,30)
• InChIKey: XJWOSEXDALQKOI-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 141.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.52
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 121041911) is 3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1cc(-c2nnc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)o2)cc(OC)c1OC.

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

The InChIKey is XJWOSEXDALQKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O7S/c1-33-19-12-15(13-20(34-2)21(19)35-3)23-27-28-24(36-23)26-22(30)14-5-4-6-17(11-14)29-37(31,32)18-9-7-16(25)8-10-18/h4-13,29H,1-3H3,(H,26,28,30).

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

3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 528.52 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 121041911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).