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

C26H27ClN4O5S2 — CID 43987973

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 43987973) has the molecular formula C26H27ClN4O5S2 and a molecular weight of 575.11 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 43987973
• Molecular Formula: C26H27ClN4O5S2
• Molecular Weight: 575.11 g/mol
• Exact Mass: 574.11
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• SMILES: COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1
• InChI: InChI=1S/C26H27ClN4O5S2/c1-35-15-13-30(14-16-36-2)38(33,34)22-9-6-19(7-10-22)25(32)31(18-21-5-3-4-12-28-21)26-29-23-11-8-20(27)17-24(23)37-26/h3-12,17H,13-16,18H2,1-2H3
• InChIKey: NMHXQEXTCWOALC-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 101.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.11
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 43987973) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

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

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1.

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

The InChIKey is NMHXQEXTCWOALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O5S2/c1-35-15-13-30(14-16-36-2)38(33,34)22-9-6-19(7-10-22)25(32)31(18-21-5-3-4-12-28-21)26-29-23-11-8-20(27)17-24(23)37-26/h3-12,17H,13-16,18H2,1-2H3.

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 575.11 g/mol, XLogP of 4.48, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 43987973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).