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

C24H21ClN4O3S2 — CID 41364436

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

N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 41364436) has the molecular formula C24H21ClN4O3S2 and a molecular weight of 513.04 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 41364436
• Molecular Formula: C24H21ClN4O3S2
• Molecular Weight: 513.04 g/mol
• Exact Mass: 512.07
• IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
• SMILES: CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)cc1
• InChI: InChI=1S/C24H21ClN4O3S2/c1-28(18-9-10-18)34(31,32)19-11-7-17(8-12-19)23(30)29(15-16-4-3-13-26-14-16)24-27-22-20(25)5-2-6-21(22)33-24/h2-8,11-14,18H,9-10,15H2,1H3
• InChIKey: SVVLFDGFSCGHGJ-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 83.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.04
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (CID 41364436) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

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

The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)cc1.

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

The InChIKey is SVVLFDGFSCGHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S2/c1-28(18-9-10-18)34(31,32)19-11-7-17(8-12-19)23(30)29(15-16-4-3-13-26-14-16)24-27-22-20(25)5-2-6-21(22)33-24/h2-8,11-14,18H,9-10,15H2,1H3.

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

N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 513.04 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 41364436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).