4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

C28H24FN3O4S2 — CID 44949188

About 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 44949188) has the molecular formula C28H24FN3O4S2 and a molecular weight of 549.65 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 44949188
• Molecular Formula: C28H24FN3O4S2
• Molecular Weight: 549.65 g/mol
• Exact Mass: 549.12
• IUPAC Name: 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• SMILES: CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)cc1
• InChI: InChI=1S/C28H24FN3O4S2/c1-2-31(18-20-7-4-3-5-8-20)38(34,35)24-13-10-21(11-14-24)27(33)32(19-23-9-6-16-36-23)28-30-25-15-12-22(29)17-26(25)37-28/h3-17H,2,18-19H2,1H3
• InChIKey: JQNNCFXBDUXXLI-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.65
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (CID 44949188) is 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)cc1.

What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The InChIKey is JQNNCFXBDUXXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O4S2/c1-2-31(18-20-7-4-3-5-8-20)38(34,35)24-13-10-21(11-14-24)27(33)32(19-23-9-6-16-36-23)28-30-25-15-12-22(29)17-26(25)37-28/h3-17H,2,18-19H2,1H3.

What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 549.65 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 44949188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).