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

C20H19ClN4O3S — CID 3312244

IUPAC3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CN(CC2CCCO2)c2nc3ccccc3nc21
InChIInChI=1S/C20H19ClN4O3S/c21-14-7-9-16(10-8-14)29(26,27)25-13-24(12-15-4-3-11-28-15)19-20(25)23-18-6-2-1-5-17(18)22-19/h1-2,5-10,15H,3-4,11-13H2
InChIKeyZWZIVMYWEQDXOS-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.43
Rot. Bonds4

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

3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline (PubChem CID 3312244) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline
PubChem CID3312244
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CN(CC2CCCO2)c2nc3ccccc3nc21
InChIInChI=1S/C20H19ClN4O3S/c21-14-7-9-16(10-8-14)29(26,27)25-13-24(12-15-4-3-11-28-15)19-20(25)23-18-6-2-1-5-17(18)22-19/h1-2,5-10,15H,3-4,11-13H2
InChIKeyZWZIVMYWEQDXOS-UHFFFAOYSA-N
XLogP3.43
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline (CID 3312244) is 3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline is O=S(=O)(c1ccc(Cl)cc1)N1CN(CC2CCCO2)c2nc3ccccc3nc21.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is ZWZIVMYWEQDXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c21-14-7-9-16(10-8-14)29(26,27)25-13-24(12-15-4-3-11-28-15)19-20(25)23-18-6-2-1-5-17(18)22-19/h1-2,5-10,15H,3-4,11-13H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
3-(4-chlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 430.92 g/mol, XLogP of 3.43, 4 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-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 3312244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).