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

C22H17FN4O2S — CID 2024732

IUPAC3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1ccccc1)N1CN(Cc2ccc(F)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C22H17FN4O2S/c23-17-12-10-16(11-13-17)14-26-15-27(30(28,29)18-6-2-1-3-7-18)22-21(26)24-19-8-4-5-9-20(19)25-22/h1-13H,14-15H2
InChIKeyTWEMAPQLZFJFRM-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.94
Rot. Bonds4

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

3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2024732) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
PubChem CID2024732
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC Name3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1ccccc1)N1CN(Cc2ccc(F)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C22H17FN4O2S/c23-17-12-10-16(11-13-17)14-26-15-27(30(28,29)18-6-2-1-3-7-18)22-21(26)24-19-8-4-5-9-20(19)25-22/h1-13H,14-15H2
InChIKeyTWEMAPQLZFJFRM-UHFFFAOYSA-N
XLogP3.94
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline (CID 2024732) is 3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline is O=S(=O)(c1ccccc1)N1CN(Cc2ccc(F)cc2)c2nc3ccccc3nc21.
What is the InChIKey of 3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is TWEMAPQLZFJFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c23-17-12-10-16(11-13-17)14-26-15-27(30(28,29)18-6-2-1-3-7-18)22-21(26)24-19-8-4-5-9-20(19)25-22/h1-13H,14-15H2.
What are the key properties of 3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 420.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2024732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).