3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline

C21H14F2N4O2S — CID 2312058

IUPAC3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1ccccc1)N1CN(c2ccc(F)cc2F)c2nc3ccccc3nc21
InChIInChI=1S/C21H14F2N4O2S/c22-14-10-11-19(16(23)12-14)26-13-27(30(28,29)15-6-2-1-3-7-15)21-20(26)24-17-8-4-5-9-18(17)25-21/h1-12H,13H2
InChIKeyRZPVJAQOZBEKNJ-UHFFFAOYSA-N
MW424.43 g/mol
LogP4.21
Rot. Bonds3

About 3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline

3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2312058) has the molecular formula C21H14F2N4O2S and a molecular weight of 424.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline
PubChem CID2312058
Molecular FormulaC21H14F2N4O2S
Molecular Weight424.43 g/mol
Exact Mass424.08
IUPAC Name3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1ccccc1)N1CN(c2ccc(F)cc2F)c2nc3ccccc3nc21
InChIInChI=1S/C21H14F2N4O2S/c22-14-10-11-19(16(23)12-14)26-13-27(30(28,29)15-6-2-1-3-7-15)21-20(26)24-17-8-4-5-9-18(17)25-21/h1-12H,13H2
InChIKeyRZPVJAQOZBEKNJ-UHFFFAOYSA-N
XLogP4.21
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline (CID 2312058) is 3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline is O=S(=O)(c1ccccc1)N1CN(c2ccc(F)cc2F)c2nc3ccccc3nc21.
What is the InChIKey of 3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is RZPVJAQOZBEKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2S/c22-14-10-11-19(16(23)12-14)26-13-27(30(28,29)15-6-2-1-3-7-15)21-20(26)24-17-8-4-5-9-18(17)25-21/h1-12H,13H2.
What are the key properties of 3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline?
3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 424.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2312058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).