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

C28H23ClN4O3S2 — CID 43988376

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

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 43988376) has the molecular formula C28H23ClN4O3S2 and a molecular weight of 563.10 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 43988376
• Molecular Formula: C28H23ClN4O3S2
• Molecular Weight: 563.10 g/mol
• Exact Mass: 562.09
• IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
• SMILES: Cc1cc(Cl)cc2sc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc12
• InChI: InChI=1S/C28H23ClN4O3S2/c1-19-16-21(29)17-25-26(19)31-28(37-25)33(18-22-8-6-7-15-30-22)27(34)20-11-13-24(14-12-20)38(35,36)32(2)23-9-4-3-5-10-23/h3-17H,18H2,1-2H3
• InChIKey: ZDVGQNVVXYDGFM-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 83.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.10
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 43988376) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

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

The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is Cc1cc(Cl)cc2sc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc12.

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

The InChIKey is ZDVGQNVVXYDGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O3S2/c1-19-16-21(29)17-25-26(19)31-28(37-25)33(18-22-8-6-7-15-30-22)27(34)20-11-13-24(14-12-20)38(35,36)32(2)23-9-4-3-5-10-23/h3-17H,18H2,1-2H3.

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

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 563.10 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 43988376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).