2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C18H18ClN3O3S3 — CID 55335471

About 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 55335471) has the molecular formula C18H18ClN3O3S3 and a molecular weight of 456.01 g/mol. Its IUPAC name is 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 55335471
• Molecular Formula: C18H18ClN3O3S3
• Molecular Weight: 456.01 g/mol
• Exact Mass: 455.02
• IUPAC Name: 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
• SMILES: CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cccs3)cs2)c1
• InChI: InChI=1S/C18H18ClN3O3S3/c1-11(2)22(3)28(24,25)12-6-7-14(19)13(9-12)17(23)21-18-20-15(10-27-18)16-5-4-8-26-16/h4-11H,1-3H3,(H,20,21,23)
• InChIKey: CFLOOFOGXRQURJ-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.01
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 55335471) is 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cccs3)cs2)c1.

What is the InChIKey of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?

The InChIKey is CFLOOFOGXRQURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S3/c1-11(2)22(3)28(24,25)12-6-7-14(19)13(9-12)17(23)21-18-20-15(10-27-18)16-5-4-8-26-16/h4-11H,1-3H3,(H,20,21,23).

What are the key properties of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?

2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 456.01 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 55335471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).