N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide

C20H14F3N5O3S — CID 67402942

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

N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide (PubChem CID 67402942) has the molecular formula C20H14F3N5O3S and a molecular weight of 461.43 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide
• PubChem CID: 67402942
• Molecular Formula: C20H14F3N5O3S
• Molecular Weight: 461.43 g/mol
• Exact Mass: 461.08
• IUPAC Name: N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide
• SMILES: O=S(=O)(Nc1nc2ccccc2nc1OC(c1cccnc1)C(F)(F)F)c1cccnc1
• InChI: InChI=1S/C20H14F3N5O3S/c21-20(22,23)17(13-5-3-9-24-11-13)31-19-18(26-15-7-1-2-8-16(15)27-19)28-32(29,30)14-6-4-10-25-12-14/h1-12,17H,(H,26,28)
• InChIKey: DCISGBQXWYLRHX-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 106.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.43
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide (CID 67402942) is N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide.

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

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

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

The InChIKey is DCISGBQXWYLRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3S/c21-20(22,23)17(13-5-3-9-24-11-13)31-19-18(26-15-7-1-2-8-16(15)27-19)28-32(29,30)14-6-4-10-25-12-14/h1-12,17H,(H,26,28).

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

N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide has a molecular weight of 461.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 67402942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).