N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide

C23H20ClN3O4S2 — CID 41364480

About N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 41364480) has the molecular formula C23H20ClN3O4S2 and a molecular weight of 502.02 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 41364480
• Molecular Formula: C23H20ClN3O4S2
• Molecular Weight: 502.02 g/mol
• Exact Mass: 501.06
• IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
• SMILES: CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccc(Cl)cc3s2)cc1
• InChI: InChI=1S/C23H20ClN3O4S2/c1-26(17-7-8-17)33(29,30)19-9-4-15(5-10-19)22(28)27(14-18-3-2-12-31-18)23-25-20-11-6-16(24)13-21(20)32-23/h2-6,9-13,17H,7-8,14H2,1H3
• InChIKey: XYXMWONEDQPIGS-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.02
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (CID 41364480) is N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.

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

The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccc(Cl)cc3s2)cc1.

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

The InChIKey is XYXMWONEDQPIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S2/c1-26(17-7-8-17)33(29,30)19-9-4-15(5-10-19)22(28)27(14-18-3-2-12-31-18)23-25-20-11-6-16(24)13-21(20)32-23/h2-6,9-13,17H,7-8,14H2,1H3.

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

N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 502.02 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclopropyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 41364480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).