2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline

C14H6ClF3N2S — CID 139233566

IUPAC2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline
SMILESFc1cc(Sc2cnc3ccccc3n2)c(F)c(F)c1Cl
InChIInChI=1S/C14H6ClF3N2S/c15-12-7(16)5-10(13(17)14(12)18)21-11-6-19-8-3-1-2-4-9(8)20-11/h1-6H
InChIKeyWSKYOAYKNHKJCR-UHFFFAOYSA-N
MW326.73 g/mol
LogP4.85
Rot. Bonds2

About 2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline

2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline (PubChem CID 139233566) has the molecular formula C14H6ClF3N2S and a molecular weight of 326.73 g/mol. Its IUPAC name is 2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline.

Molecular Properties

Compound Name2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline
PubChem CID139233566
Molecular FormulaC14H6ClF3N2S
Molecular Weight326.73 g/mol
Exact Mass325.99
IUPAC Name2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline
SMILESFc1cc(Sc2cnc3ccccc3n2)c(F)c(F)c1Cl
InChIInChI=1S/C14H6ClF3N2S/c15-12-7(16)5-10(13(17)14(12)18)21-11-6-19-8-3-1-2-4-9(8)20-11/h1-6H
InChIKeyWSKYOAYKNHKJCR-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(Phenylsulfanyl)quinoxaline
CID 5100142
2-[(4-Chlorophenyl)sulfanyl]quinoxaline
CID 1480425
2-(4-Chlorophenyl)sulfonylquinoxaline
CID 3720993
2-[(2-Chlorophenyl)sulfanyl]quinoxaline
CID 3740927
2-(4-Chlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 134131845
2-(2,4-Dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164618424
2-(4-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164618532
2-(2-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164621242
2-(3-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164626207
2-(4-Chlorophenyl)sulfanylpyridin-3-amine
CID 901294
2-(2-Pyridin-2-ylethylsulfanyl)-3-(trifluoromethyl)quinoxaline
CID 172433517
2-Pyridin-2-ylsulfanyl-3-(trifluoromethyl)quinoxaline
CID 172436432

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline?
The IUPAC name of 2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline (CID 139233566) is 2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline.
What is the SMILES notation for 2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline?
The canonical SMILES for 2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline is Fc1cc(Sc2cnc3ccccc3n2)c(F)c(F)c1Cl.
What is the InChIKey of 2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline?
The InChIKey is WSKYOAYKNHKJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF3N2S/c15-12-7(16)5-10(13(17)14(12)18)21-11-6-19-8-3-1-2-4-9(8)20-11/h1-6H.
What are the key properties of 2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline?
2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline has a molecular weight of 326.73 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3,5-trifluorophenyl)sulfanylquinoxaline is sourced from PubChem (CID 139233566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).