2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide

C22H16ClF3N4O4S — CID 67402439

About 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide

2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 67402439) has the molecular formula C22H16ClF3N4O4S and a molecular weight of 524.91 g/mol. Its IUPAC name is 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide
• PubChem CID: 67402439
• Molecular Formula: C22H16ClF3N4O4S
• Molecular Weight: 524.91 g/mol
• Exact Mass: 524.05
• IUPAC Name: 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide
• SMILES: COc1cncc(C(Oc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2Cl)C(F)(F)F)c1
• InChI: InChI=1S/C22H16ClF3N4O4S/c1-33-14-10-13(11-27-12-14)19(22(24,25)26)34-21-20(28-16-7-3-4-8-17(16)29-21)30-35(31,32)18-9-5-2-6-15(18)23/h2-12,19H,1H3,(H,28,30)
• InChIKey: SLBZNODPWPHXAA-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 103.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.91
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide?

The IUPAC name of 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide (CID 67402439) is 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide.

What is the SMILES notation for 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide?

The canonical SMILES for 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide is COc1cncc(C(Oc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2Cl)C(F)(F)F)c1.

What is the InChIKey of 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide?

The InChIKey is SLBZNODPWPHXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O4S/c1-33-14-10-13(11-27-12-14)19(22(24,25)26)34-21-20(28-16-7-3-4-8-17(16)29-21)30-35(31,32)18-9-5-2-6-15(18)23/h2-12,19H,1H3,(H,28,30).

What are the key properties of 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide?

2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 524.91 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-[2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)ethoxy]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 67402439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).