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

C26H26ClN3O4S2 — CID 44949039

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

N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 44949039) has the molecular formula C26H26ClN3O4S2 and a molecular weight of 544.10 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 44949039
• Molecular Formula: C26H26ClN3O4S2
• Molecular Weight: 544.10 g/mol
• Exact Mass: 543.11
• IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
• SMILES: CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccc(Cl)cc3s2)cc1
• InChI: InChI=1S/C26H26ClN3O4S2/c1-29(20-6-3-2-4-7-20)36(32,33)22-12-9-18(10-13-22)25(31)30(17-21-8-5-15-34-21)26-28-23-14-11-19(27)16-24(23)35-26/h5,8-16,20H,2-4,6-7,17H2,1H3
• InChIKey: WDWIYFILARDNSE-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.10
LogP ≤ 5	6.34
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-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (CID 44949039) is N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.

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

The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is CN(C1CCCCC1)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-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide?

The InChIKey is WDWIYFILARDNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4S2/c1-29(20-6-3-2-4-7-20)36(32,33)22-12-9-18(10-13-22)25(31)30(17-21-8-5-15-34-21)26-28-23-14-11-19(27)16-24(23)35-26/h5,8-16,20H,2-4,6-7,17H2,1H3.

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

N-(6-chloro-1,3-benzothiazol-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 544.10 g/mol, XLogP of 6.34, 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-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 44949039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).