3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide

C26H26F2N2O6S — CID 18189284

About 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide

3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide (PubChem CID 18189284) has the molecular formula C26H26F2N2O6S and a molecular weight of 532.57 g/mol. Its IUPAC name is 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide.

Molecular Properties

• Compound Name: 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide
• PubChem CID: 18189284
• Molecular Formula: C26H26F2N2O6S
• Molecular Weight: 532.57 g/mol
• Exact Mass: 532.15
• IUPAC Name: 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide
• SMILES: COCCN(C)C(=O)c1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)c1
• InChI: InChI=1S/C26H26F2N2O6S/c1-30(11-12-34-2)25(31)18-6-3-5-17(14-18)24-20-13-16(15-37(29,32)33)9-10-19(20)23-21(35-24)7-4-8-22(23)36-26(27)28/h3-10,13-14,24,26H,11-12,15H2,1-2H3,(H2,29,32,33)
• InChIKey: FVOSWHABLJFXNT-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 108.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.57
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide?

The IUPAC name of 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide (CID 18189284) is 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide.

What is the SMILES notation for 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide?

The canonical SMILES for 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide is COCCN(C)C(=O)c1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)c1.

What is the InChIKey of 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide?

The InChIKey is FVOSWHABLJFXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O6S/c1-30(11-12-34-2)25(31)18-6-3-5-17(14-18)24-20-13-16(15-37(29,32)33)9-10-19(20)23-21(35-24)7-4-8-22(23)36-26(27)28/h3-10,13-14,24,26H,11-12,15H2,1-2H3,(H2,29,32,33).

What are the key properties of 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide?

3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide has a molecular weight of 532.57 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide is sourced from PubChem (CID 18189284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).