3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

C19H18FN3O3S2 — CID 36751788

About 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 36751788) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
• PubChem CID: 36751788
• Molecular Formula: C19H18FN3O3S2
• Molecular Weight: 419.50 g/mol
• Exact Mass: 419.08
• IUPAC Name: 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
• SMILES: Cc1nc(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cs1
• InChI: InChI=1S/C19H18FN3O3S2/c1-13-22-15(12-27-13)9-10-21-19(24)14-5-4-6-16(11-14)28(25,26)23-18-8-3-2-7-17(18)20/h2-8,11-12,23H,9-10H2,1H3,(H,21,24)
• InChIKey: POQKIKMOKGIBMW-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.50
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?

The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 36751788) is 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?

The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1nc(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cs1.

What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?

The InChIKey is POQKIKMOKGIBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-13-22-15(12-27-13)9-10-21-19(24)14-5-4-6-16(11-14)28(25,26)23-18-8-3-2-7-17(18)20/h2-8,11-12,23H,9-10H2,1H3,(H,21,24).

What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?

3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 3.36, 7 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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 36751788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).