4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C26H26FN3O3S2 — CID 41001497

About 4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 41001497) has the molecular formula C26H26FN3O3S2 and a molecular weight of 511.64 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 41001497
• Molecular Formula: C26H26FN3O3S2
• Molecular Weight: 511.64 g/mol
• Exact Mass: 511.14
• IUPAC Name: 4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: CCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)sc2cccc(F)c21
• InChI: InChI=1S/C26H26FN3O3S2/c1-3-17-30-24-22(27)11-8-12-23(24)34-26(30)28-25(31)20-13-15-21(16-14-20)35(32,33)29(4-2)18-19-9-6-5-7-10-19/h5-16H,3-4,17-18H2,1-2H3/b28-26-
• InChIKey: ZONBYQTWTOSPHU-SGEDCAFJSA-N
• XLogP: 5.20
• TPSA: 71.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.64
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 41001497) is 4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

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

The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)sc2cccc(F)c21.

What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?

The InChIKey is ZONBYQTWTOSPHU-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H26FN3O3S2/c1-3-17-30-24-22(27)11-8-12-23(24)34-26(30)28-25(31)20-13-15-21(16-14-20)35(32,33)29(4-2)18-19-9-6-5-7-10-19/h5-16H,3-4,17-18H2,1-2H3/b28-26-.

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

4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 511.64 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 41001497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).