2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline

C22H15F3N2O3S — CID 59321612

IUPAC2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline
SMILESCS(=O)(=O)c1cccc(Oc2cccc(-c3cnc4cccc(C(F)(F)F)c4n3)c2)c1
InChIInChI=1S/C22H15F3N2O3S/c1-31(28,29)17-8-3-7-16(12-17)30-15-6-2-5-14(11-15)20-13-26-19-10-4-9-18(21(19)27-20)22(23,24)25/h2-13H,1H3
InChIKeyFRHFFOBUPVXZKA-UHFFFAOYSA-N
MW444.43 g/mol
LogP5.51
Rot. Bonds4

About 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline

2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline (PubChem CID 59321612) has the molecular formula C22H15F3N2O3S and a molecular weight of 444.43 g/mol. Its IUPAC name is 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline
PubChem CID59321612
Molecular FormulaC22H15F3N2O3S
Molecular Weight444.43 g/mol
Exact Mass444.08
IUPAC Name2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline
SMILESCS(=O)(=O)c1cccc(Oc2cccc(-c3cnc4cccc(C(F)(F)F)c4n3)c2)c1
InChIInChI=1S/C22H15F3N2O3S/c1-31(28,29)17-8-3-7-16(12-17)30-15-6-2-5-14(11-15)20-13-26-19-10-4-9-18(21(19)27-20)22(23,24)25/h2-13H,1H3
InChIKeyFRHFFOBUPVXZKA-UHFFFAOYSA-N
XLogP5.51
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.43
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{3-[3-(Methylsulfonyl)phenoxy]phenyl}-8-(Trifluoromethyl)quinoline
CID 25100472
3-Methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline
CID 25100150
3-Benzyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline
CID 25100311
8-(3-(Difluoromethoxy)phenyl)-6-((4-(methylsulfonyl)phenoxy)methyl)quinoline
CID 46933994
3-Methyl-4-(3-(2-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline
CID 25099837
4-(3-(3-(Isobutylsulfonyl)phenoxy)phenyl)-3-methyl-8-(trifluoromethyl)quinoline
CID 25099838
4-(3-(3-(Isopentylsulfonyl)phenoxy)phenyl)-3-methyl-8-(trifluoromethyl)quinoline
CID 25099839
4-(3-(3-(Methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline-3-carbonitrile
CID 25099842
3-(3-(3-(3-Methyl-8-(trifluoromethyl)quinolin-4-yl)phenoxy)phenylsulfonyl)propan-1-ol
CID 25099990
4-(3-(3-(3-Methoxypropylsulfonyl)phenoxy)phenyl)-3-methyl-8-(trifluoromethyl)quinoline
CID 25099991
3-Methyl-4-(3-(4-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline
CID 25100147
2-Methyl-4-(3-(3-(3-methyl-8-(trifluoromethyl)quinolin-4-yl)phenoxy)phenylsulfonyl)butan-2-ol
CID 25100148

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline (CID 59321612) is 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline is CS(=O)(=O)c1cccc(Oc2cccc(-c3cnc4cccc(C(F)(F)F)c4n3)c2)c1.
What is the InChIKey of 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline?
The InChIKey is FRHFFOBUPVXZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O3S/c1-31(28,29)17-8-3-7-16(12-17)30-15-6-2-5-14(11-15)20-13-26-19-10-4-9-18(21(19)27-20)22(23,24)25/h2-13H,1H3.
What are the key properties of 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline?
2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline has a molecular weight of 444.43 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 59321612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).