3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide

C18H16FN3O4S — CID 47080387

About 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 47080387) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
• PubChem CID: 47080387
• Molecular Formula: C18H16FN3O4S
• Molecular Weight: 389.41 g/mol
• Exact Mass: 389.08
• IUPAC Name: 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
• SMILES: Cc1cc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)on1
• InChI: InChI=1S/C18H16FN3O4S/c1-12-9-14(26-21-12)11-20-18(23)13-5-4-6-15(10-13)27(24,25)22-17-8-3-2-7-16(17)19/h2-10,22H,11H2,1H3,(H,20,23)
• InChIKey: PVGSDTSNXLLUNI-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 101.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.41
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?

The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (CID 47080387) is 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.

What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?

The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)on1.

What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?

The InChIKey is PVGSDTSNXLLUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-12-9-14(26-21-12)11-20-18(23)13-5-4-6-15(10-13)27(24,25)22-17-8-3-2-7-16(17)19/h2-10,22H,11H2,1H3,(H,20,23).

What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?

3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 389.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 47080387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).