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

C28H24ClN3O4S2 — CID 44949657

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

4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 44949657) has the molecular formula C28H24ClN3O4S2 and a molecular weight of 566.10 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 44949657
• Molecular Formula: C28H24ClN3O4S2
• Molecular Weight: 566.10 g/mol
• Exact Mass: 565.09
• IUPAC Name: 4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• SMILES: Cc1cc(Cl)cc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc12
• InChI: InChI=1S/C28H24ClN3O4S2/c1-19-15-22(29)16-25-26(19)30-28(37-25)32(18-23-9-6-14-36-23)27(33)21-10-12-24(13-11-21)38(34,35)31(2)17-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3
• InChIKey: ZABPNJMCITVASB-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.10
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (CID 44949657) is 4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

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

The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is Cc1cc(Cl)cc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc12.

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

The InChIKey is ZABPNJMCITVASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O4S2/c1-19-15-22(29)16-25-26(19)30-28(37-25)32(18-23-9-6-14-36-23)27(33)21-10-12-24(13-11-21)38(34,35)31(2)17-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3.

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

4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 566.10 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 44949657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).