2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide

C22H14F6N4O4S — CID 87386193

About 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide

2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 87386193) has the molecular formula C22H14F6N4O4S and a molecular weight of 544.43 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
• PubChem CID: 87386193
• Molecular Formula: C22H14F6N4O4S
• Molecular Weight: 544.43 g/mol
• Exact Mass: 544.06
• IUPAC Name: 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
• SMILES: O=S(=O)(Nc1nc2ccccc2nc1OC(c1cccnc1)C(F)(F)F)c1ccccc1OC(F)(F)F
• InChI: InChI=1S/C22H14F6N4O4S/c23-21(24,25)18(13-6-5-11-29-12-13)35-20-19(30-14-7-1-2-8-15(14)31-20)32-37(33,34)17-10-4-3-9-16(17)36-22(26,27)28/h1-12,18H,(H,30,32)
• InChIKey: SCAFCWMMTLQWJL-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 103.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.43
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide?

The IUPAC name of 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide (CID 87386193) is 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide.

What is the SMILES notation for 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide?

The canonical SMILES for 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1OC(c1cccnc1)C(F)(F)F)c1ccccc1OC(F)(F)F.

What is the InChIKey of 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide?

The InChIKey is SCAFCWMMTLQWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N4O4S/c23-21(24,25)18(13-6-5-11-29-12-13)35-20-19(30-14-7-1-2-8-15(14)31-20)32-37(33,34)17-10-4-3-9-16(17)36-22(26,27)28/h1-12,18H,(H,30,32).

What are the key properties of 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide?

2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 544.43 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(trifluoromethoxy)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 87386193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).