2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline

C15H9F3N2O2S — CID 3565877

IUPAC2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1cnc2ccccc2n1
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)10-4-3-5-11(8-10)23(21,22)14-9-19-12-6-1-2-7-13(12)20-14/h1-9H
InChIKeyVUUWFKUSGJCDNJ-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.48
Rot. Bonds2

About 2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline

2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline (PubChem CID 3565877) has the molecular formula C15H9F3N2O2S and a molecular weight of 338.31 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline
PubChem CID3565877
Molecular FormulaC15H9F3N2O2S
Molecular Weight338.31 g/mol
Exact Mass338.03
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1cnc2ccccc2n1
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)10-4-3-5-11(8-10)23(21,22)14-9-19-12-6-1-2-7-13(12)20-14/h1-9H
InChIKeyVUUWFKUSGJCDNJ-UHFFFAOYSA-N
XLogP3.48
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline (CID 3565877) is 2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline is O=S(=O)(c1cccc(C(F)(F)F)c1)c1cnc2ccccc2n1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline?
The InChIKey is VUUWFKUSGJCDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2S/c16-15(17,18)10-4-3-5-11(8-10)23(21,22)14-9-19-12-6-1-2-7-13(12)20-14/h1-9H.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline?
2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline has a molecular weight of 338.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfonylquinoxaline is sourced from PubChem (CID 3565877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).