1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline

C20H15FN4O2S2 — CID 2038212

IUPAC1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1cccs1)N1CN(Cc2ccc(F)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H15FN4O2S2/c21-15-9-7-14(8-10-15)12-24-13-25(29(26,27)18-6-3-11-28-18)20-19(24)22-16-4-1-2-5-17(16)23-20/h1-11H,12-13H2
InChIKeyAUPYYZYJKUVTJF-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.00
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline

1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2038212) has the molecular formula C20H15FN4O2S2 and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID2038212
Molecular FormulaC20H15FN4O2S2
Molecular Weight426.50 g/mol
Exact Mass426.06
IUPAC Name1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1cccs1)N1CN(Cc2ccc(F)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H15FN4O2S2/c21-15-9-7-14(8-10-15)12-24-13-25(29(26,27)18-6-3-11-28-18)20-19(24)22-16-4-1-2-5-17(16)23-20/h1-11H,12-13H2
InChIKeyAUPYYZYJKUVTJF-UHFFFAOYSA-N
XLogP4.00
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
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-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 2038212) is 1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline is O=S(=O)(c1cccs1)N1CN(Cc2ccc(F)cc2)c2nc3ccccc3nc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is AUPYYZYJKUVTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S2/c21-15-9-7-14(8-10-15)12-24-13-25(29(26,27)18-6-3-11-28-18)20-19(24)22-16-4-1-2-5-17(16)23-20/h1-11H,12-13H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 426.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2038212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).