4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide

C23H16BrF3N4O3S — CID 11180556

About 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide

4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide (PubChem CID 11180556) has the molecular formula C23H16BrF3N4O3S and a molecular weight of 565.37 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide.

Molecular Properties

• Compound Name: 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
• PubChem CID: 11180556
• Molecular Formula: C23H16BrF3N4O3S
• Molecular Weight: 565.37 g/mol
• Exact Mass: 564.01
• IUPAC Name: 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
• SMILES: O=C(NC(CF)c1ccc(F)cc1F)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12
• InChI: InChI=1S/C23H16BrF3N4O3S/c24-13-4-6-16(23(32)30-20(12-25)15-7-5-14(26)11-17(15)27)19(10-13)31-35(33,34)21-3-1-2-18-22(21)29-9-8-28-18/h1-11,20,31H,12H2,(H,30,32)
• InChIKey: IRCIBUNOSHKBJE-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 101.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.37
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?

The IUPAC name of 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide (CID 11180556) is 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide.

What is the SMILES notation for 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?

The canonical SMILES for 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide is O=C(NC(CF)c1ccc(F)cc1F)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12.

What is the InChIKey of 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?

The InChIKey is IRCIBUNOSHKBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrF3N4O3S/c24-13-4-6-16(23(32)30-20(12-25)15-7-5-14(26)11-17(15)27)19(10-13)31-35(33,34)21-3-1-2-18-22(21)29-9-8-28-18/h1-11,20,31H,12H2,(H,30,32).

What are the key properties of 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide?

4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide has a molecular weight of 565.37 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide is sourced from PubChem (CID 11180556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).