3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline

C23H19FN4O3S — CID 2332798

IUPAC3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCCOc1ccc(S(=O)(=O)N2CN(c3ccc(F)cc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C23H19FN4O3S/c1-2-31-18-11-13-19(14-12-18)32(29,30)28-15-27(17-9-7-16(24)8-10-17)22-23(28)26-21-6-4-3-5-20(21)25-22/h3-14H,2,15H2,1H3
InChIKeyLSPUEOACVAMAIC-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.47
Rot. Bonds5

About 3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline

3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2332798) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline
PubChem CID2332798
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC Name3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCCOc1ccc(S(=O)(=O)N2CN(c3ccc(F)cc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C23H19FN4O3S/c1-2-31-18-11-13-19(14-12-18)32(29,30)28-15-27(17-9-7-16(24)8-10-17)22-23(28)26-21-6-4-3-5-20(21)25-22/h3-14H,2,15H2,1H3
InChIKeyLSPUEOACVAMAIC-UHFFFAOYSA-N
XLogP4.47
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline (CID 2332798) is 3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline is CCOc1ccc(S(=O)(=O)N2CN(c3ccc(F)cc3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is LSPUEOACVAMAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c1-2-31-18-11-13-19(14-12-18)32(29,30)28-15-27(17-9-7-16(24)8-10-17)22-23(28)26-21-6-4-3-5-20(21)25-22/h3-14H,2,15H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline?
3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 450.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)sulfonyl-1-(4-fluorophenyl)-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2332798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).