1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline

C19H20N4O2S2 — CID 2022351

IUPAC1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1cccs1)N1CN(C2CCCCC2)c2nc3ccccc3nc21
InChIInChI=1S/C19H20N4O2S2/c24-27(25,17-11-6-12-26-17)23-13-22(14-7-2-1-3-8-14)18-19(23)21-16-10-5-4-9-15(16)20-18/h4-6,9-12,14H,1-3,7-8,13H2
InChIKeyJFZOPEPMWLNULG-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.00
Rot. Bonds3

About 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline

1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2022351) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID2022351
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC Name1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1cccs1)N1CN(C2CCCCC2)c2nc3ccccc3nc21
InChIInChI=1S/C19H20N4O2S2/c24-27(25,17-11-6-12-26-17)23-13-22(14-7-2-1-3-8-14)18-19(23)21-16-10-5-4-9-15(16)20-18/h4-6,9-12,14H,1-3,7-8,13H2
InChIKeyJFZOPEPMWLNULG-UHFFFAOYSA-N
XLogP4.00
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 2022351) is 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline is O=S(=O)(c1cccs1)N1CN(C2CCCCC2)c2nc3ccccc3nc21.
What is the InChIKey of 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is JFZOPEPMWLNULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c24-27(25,17-11-6-12-26-17)23-13-22(14-7-2-1-3-8-14)18-19(23)21-16-10-5-4-9-15(16)20-18/h4-6,9-12,14H,1-3,7-8,13H2.
What are the key properties of 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 400.53 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2022351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).