2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline

C16H12F2N2O2S — CID 139233555

IUPAC2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline
SMILESCOc1cc(Sc2cnc3ccccc3n2)c(F)c(OC)c1F
InChIInChI=1S/C16H12F2N2O2S/c1-21-11-7-12(15(18)16(22-2)14(11)17)23-13-8-19-9-5-3-4-6-10(9)20-13/h3-8H,1-2H3
InChIKeyNMLKOJGLOPZHHI-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.08
Rot. Bonds4

About 2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline

2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline (PubChem CID 139233555) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline.

Molecular Properties

Compound Name2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline
PubChem CID139233555
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline
SMILESCOc1cc(Sc2cnc3ccccc3n2)c(F)c(OC)c1F
InChIInChI=1S/C16H12F2N2O2S/c1-21-11-7-12(15(18)16(22-2)14(11)17)23-13-8-19-9-5-3-4-6-10(9)20-13/h3-8H,1-2H3
InChIKeyNMLKOJGLOPZHHI-UHFFFAOYSA-N
XLogP4.08
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline?
The IUPAC name of 2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline (CID 139233555) is 2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline.
What is the SMILES notation for 2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline?
The canonical SMILES for 2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline is COc1cc(Sc2cnc3ccccc3n2)c(F)c(OC)c1F.
What is the InChIKey of 2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline?
The InChIKey is NMLKOJGLOPZHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-21-11-7-12(15(18)16(22-2)14(11)17)23-13-8-19-9-5-3-4-6-10(9)20-13/h3-8H,1-2H3.
What are the key properties of 2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline?
2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline has a molecular weight of 334.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-3,5-dimethoxyphenyl)sulfanylquinoxaline is sourced from PubChem (CID 139233555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).