3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline

C23H20N4O3S — CID 2016143

IUPAC3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccccc1CN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C23H20N4O3S/c1-30-21-14-8-5-9-17(21)15-26-16-27(31(28,29)18-10-3-2-4-11-18)23-22(26)24-19-12-6-7-13-20(19)25-23/h2-14H,15-16H2,1H3
InChIKeyIFCXTEDHOXGCCG-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.81
Rot. Bonds5

About 3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline

3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2016143) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
PubChem CID2016143
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccccc1CN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C23H20N4O3S/c1-30-21-14-8-5-9-17(21)15-26-16-27(31(28,29)18-10-3-2-4-11-18)23-22(26)24-19-12-6-7-13-20(19)25-23/h2-14H,15-16H2,1H3
InChIKeyIFCXTEDHOXGCCG-UHFFFAOYSA-N
XLogP3.81
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1636052
1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone
CID 2116911
N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine
CID 10185400
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide
CID 16036739
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
CID 58149816
2-(2-Methoxyphenyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 709512
N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 1399352
4-methoxy-N-methyl-N-[1-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzenesulfonamide
CID 1847825
1-(4-methoxybenzyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2001676
N-{3-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-quinoxalin-2-yl}-4-methoxy-benzenesulfonamide
CID 2013546
1-(4-methoxyphenethyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2014189
1-Benzenesulfonyl-3-[2-(3,4-dimethoxy-phenyl)-ethyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2021230

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline (CID 2016143) is 3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline is COc1ccccc1CN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of 3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is IFCXTEDHOXGCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-30-21-14-8-5-9-17(21)15-26-16-27(31(28,29)18-10-3-2-4-11-18)23-22(26)24-19-12-6-7-13-20(19)25-23/h2-14H,15-16H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 432.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2016143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).