2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline

C15H8ClF3N2S — CID 1470967

IUPAC2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1Sc1ccccc1Cl
InChIInChI=1S/C15H8ClF3N2S/c16-9-5-1-4-8-12(9)22-14-13(15(17,18)19)20-10-6-2-3-7-11(10)21-14/h1-8H
InChIKeySBTFJARTUNGFKQ-UHFFFAOYSA-N
MW340.76 g/mol
LogP5.45
Rot. Bonds2

About 2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline

2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline (PubChem CID 1470967) has the molecular formula C15H8ClF3N2S and a molecular weight of 340.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline
PubChem CID1470967
Molecular FormulaC15H8ClF3N2S
Molecular Weight340.76 g/mol
Exact Mass340.00
IUPAC Name2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1Sc1ccccc1Cl
InChIInChI=1S/C15H8ClF3N2S/c16-9-5-1-4-8-12(9)22-14-13(15(17,18)19)20-10-6-2-3-7-11(10)21-14/h1-8H
InChIKeySBTFJARTUNGFKQ-UHFFFAOYSA-N
XLogP5.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.76
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)sulfanyl-3-(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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline (CID 1470967) is 2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline is FC(F)(F)c1nc2ccccc2nc1Sc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline?
The InChIKey is SBTFJARTUNGFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2S/c16-9-5-1-4-8-12(9)22-14-13(15(17,18)19)20-10-6-2-3-7-11(10)21-14/h1-8H.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline?
2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline has a molecular weight of 340.76 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 1470967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).