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

C18H17ClN4O3S — CID 2023935

IUPAC3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCOCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21
InChIInChI=1S/C18H17ClN4O3S/c1-26-10-9-22-12-23(27(24,25)14-6-4-5-13(19)11-14)18-17(22)20-15-7-2-3-8-16(15)21-18/h2-8,11H,9-10,12H2,1H3
InChIKeyOQGMZUSHCWNRKW-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.90
Rot. Bonds5

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

3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2023935) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
PubChem CID2023935
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCOCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21
InChIInChI=1S/C18H17ClN4O3S/c1-26-10-9-22-12-23(27(24,25)14-6-4-5-13(19)11-14)18-17(22)20-15-7-2-3-8-16(15)21-18/h2-8,11H,9-10,12H2,1H3
InChIKeyOQGMZUSHCWNRKW-UHFFFAOYSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline (CID 2023935) is 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline is COCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is OQGMZUSHCWNRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-26-10-9-22-12-23(27(24,25)14-6-4-5-13(19)11-14)18-17(22)20-15-7-2-3-8-16(15)21-18/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 404.88 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2023935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).