4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide

C28H34F2N4O4S2 — CID 43999283

About 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 43999283) has the molecular formula C28H34F2N4O4S2 and a molecular weight of 592.73 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

• Compound Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
• PubChem CID: 43999283
• Molecular Formula: C28H34F2N4O4S2
• Molecular Weight: 592.73 g/mol
• Exact Mass: 592.20
• IUPAC Name: 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
• SMILES: CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)cc1
• InChI: InChI=1S/C28H34F2N4O4S2/c1-32(22-6-3-2-4-7-22)40(36,37)23-10-8-20(9-11-23)27(35)34(13-5-12-33-14-16-38-17-15-33)28-31-26-24(30)18-21(29)19-25(26)39-28/h8-11,18-19,22H,2-7,12-17H2,1H3
• InChIKey: YWEZMPROVMANPJ-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.73
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide?

The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 43999283) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide.

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

The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)cc1.

What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide?

The InChIKey is YWEZMPROVMANPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N4O4S2/c1-32(22-6-3-2-4-7-22)40(36,37)23-10-8-20(9-11-23)27(35)34(13-5-12-33-14-16-38-17-15-33)28-31-26-24(30)18-21(29)19-25(26)39-28/h8-11,18-19,22H,2-7,12-17H2,1H3.

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

4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 592.73 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 43999283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).