1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide

C22H16ClF3N4O3S — CID 67402734

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

1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide (PubChem CID 67402734) has the molecular formula C22H16ClF3N4O3S and a molecular weight of 508.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide
• PubChem CID: 67402734
• Molecular Formula: C22H16ClF3N4O3S
• Molecular Weight: 508.91 g/mol
• Exact Mass: 508.06
• IUPAC Name: 1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide
• SMILES: O=S(=O)(Cc1ccccc1Cl)Nc1nc2ccccc2nc1OC(c1cccnc1)C(F)(F)F
• InChI: InChI=1S/C22H16ClF3N4O3S/c23-16-8-2-1-6-15(16)13-34(31,32)30-20-21(29-18-10-4-3-9-17(18)28-20)33-19(22(24,25)26)14-7-5-11-27-12-14/h1-12,19H,13H2,(H,28,30)
• InChIKey: SHFOYQHEBKSTEM-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.91
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide (CID 67402734) is 1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide.

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

The canonical SMILES for 1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)Nc1nc2ccccc2nc1OC(c1cccnc1)C(F)(F)F.

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

The InChIKey is SHFOYQHEBKSTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O3S/c23-16-8-2-1-6-15(16)13-34(31,32)30-20-21(29-18-10-4-3-9-17(18)28-20)33-19(22(24,25)26)14-7-5-11-27-12-14/h1-12,19H,13H2,(H,28,30).

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

1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide has a molecular weight of 508.91 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoxalin-2-yl]methanesulfonamide is sourced from PubChem (CID 67402734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).