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

C20H21ClN4O3S — CID 2032377

IUPAC3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCCOCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H21ClN4O3S/c1-2-28-13-5-12-24-14-25(29(26,27)16-10-8-15(21)9-11-16)20-19(24)22-17-6-3-4-7-18(17)23-20/h3-4,6-11H,2,5,12-14H2,1H3
InChIKeyFWNHZNPUSBEVER-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.68
Rot. Bonds7

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

3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2032377) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline
PubChem CID2032377
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCCOCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H21ClN4O3S/c1-2-28-13-5-12-24-14-25(29(26,27)16-10-8-15(21)9-11-16)20-19(24)22-17-6-3-4-7-18(17)23-20/h3-4,6-11H,2,5,12-14H2,1H3
InChIKeyFWNHZNPUSBEVER-UHFFFAOYSA-N
XLogP3.68
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline (CID 2032377) is 3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline is CCOCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is FWNHZNPUSBEVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-2-28-13-5-12-24-14-25(29(26,27)16-10-8-15(21)9-11-16)20-19(24)22-17-6-3-4-7-18(17)23-20/h3-4,6-11H,2,5,12-14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline?
3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 432.93 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-(3-ethoxypropyl)-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2032377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).