N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C22H26N4O5S3 — CID 41232975

About N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 41232975) has the molecular formula C22H26N4O5S3 and a molecular weight of 522.67 g/mol. Its IUPAC name is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

• Compound Name: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
• PubChem CID: 41232975
• Molecular Formula: C22H26N4O5S3
• Molecular Weight: 522.67 g/mol
• Exact Mass: 522.11
• IUPAC Name: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
• SMILES: CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(=O)(=O)N(C)C)cc4s3)cc2)CC1
• InChI: InChI=1S/C22H26N4O5S3/c1-15-10-12-26(13-11-15)34(30,31)17-6-4-16(5-7-17)21(27)24-22-23-19-9-8-18(14-20(19)32-22)33(28,29)25(2)3/h4-9,14-15H,10-13H2,1-3H3,(H,23,24,27)
• InChIKey: KUIXAJZKZKSMPM-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 116.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.67
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?

The IUPAC name of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 41232975) is N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

What is the SMILES notation for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?

The canonical SMILES for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(=O)(=O)N(C)C)cc4s3)cc2)CC1.

What is the InChIKey of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?

The InChIKey is KUIXAJZKZKSMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S3/c1-15-10-12-26(13-11-15)34(30,31)17-6-4-16(5-7-17)21(27)24-22-23-19-9-8-18(14-20(19)32-22)33(28,29)25(2)3/h4-9,14-15H,10-13H2,1-3H3,(H,23,24,27).

What are the key properties of N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?

N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 522.67 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 41232975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).