N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide

C23H27ClN4O4S2 — CID 43963222

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 43963222) has the molecular formula C23H27ClN4O4S2 and a molecular weight of 523.08 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 43963222
• Molecular Formula: C23H27ClN4O4S2
• Molecular Weight: 523.08 g/mol
• Exact Mass: 522.12
• IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: Cc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12
• InChI: InChI=1S/C23H27ClN4O4S2/c1-16-14-18(24)15-20-21(16)25-23(33-20)28(9-8-27-10-12-32-13-11-27)22(29)17-4-6-19(7-5-17)34(30,31)26(2)3/h4-7,14-15H,8-13H2,1-3H3
• InChIKey: XTRUUNWUNULPFK-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.08
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide (CID 43963222) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide.

What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide?

The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide is Cc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12.

What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is XTRUUNWUNULPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4S2/c1-16-14-18(24)15-20-21(16)25-23(33-20)28(9-8-27-10-12-32-13-11-27)22(29)17-4-6-19(7-5-17)34(30,31)26(2)3/h4-7,14-15H,8-13H2,1-3H3.

What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide?

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 523.08 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 43963222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).