4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C24H21F2N3O3S2 — CID 3491430

About 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 3491430) has the molecular formula C24H21F2N3O3S2 and a molecular weight of 501.58 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 3491430
• Molecular Formula: C24H21F2N3O3S2
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.10
• IUPAC Name: 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)cc(F)c3n2C)cc1
• InChI: InChI=1S/C24H21F2N3O3S2/c1-3-29(15-16-7-5-4-6-8-16)34(31,32)19-11-9-17(10-12-19)23(30)27-24-28(2)22-20(26)13-18(25)14-21(22)33-24/h4-14H,3,15H2,1-2H3/b27-24-
• InChIKey: SHMPLSUHWALNSO-PNHLSOANSA-N
• XLogP: 4.47
• TPSA: 71.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?

The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 3491430) is 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?

The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)cc(F)c3n2C)cc1.

What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?

The InChIKey is SHMPLSUHWALNSO-PNHLSOANSA-N. The full InChI is InChI=1S/C24H21F2N3O3S2/c1-3-29(15-16-7-5-4-6-8-16)34(31,32)19-11-9-17(10-12-19)23(30)27-24-28(2)22-20(26)13-18(25)14-21(22)33-24/h4-14H,3,15H2,1-2H3/b27-24-.

What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?

4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 501.58 g/mol, XLogP of 4.47, 6 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-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 3491430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).