2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline

C15H7Cl5N2S — CID 164628651

IUPAC2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
SMILESClc1cccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C15H7Cl5N2S/c16-8-4-3-7-11(12(8)17)23-14-13(15(18,19)20)21-9-5-1-2-6-10(9)22-14/h1-7H
InChIKeyFNQCWCQCHWXJDA-UHFFFAOYSA-N
MW424.57 g/mol
LogP6.91
Rot. Bonds2

About 2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline

2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline (PubChem CID 164628651) has the molecular formula C15H7Cl5N2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
PubChem CID164628651
Molecular FormulaC15H7Cl5N2S
Molecular Weight424.57 g/mol
Exact Mass421.88
IUPAC Name2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
SMILESClc1cccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C15H7Cl5N2S/c16-8-4-3-7-11(12(8)17)23-14-13(15(18,19)20)21-9-5-1-2-6-10(9)22-14/h1-7H
InChIKeyFNQCWCQCHWXJDA-UHFFFAOYSA-N
XLogP6.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Chlorophenyl)sulfanyl]quinoxaline
CID 3740927
2-(4-Chlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 134131845
2-Phenylsulfanyl-3-(trichloromethyl)quinoxaline
CID 164613939
2-(3-Chlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164616548
2-(2,4-Dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164618424
2-(4-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164618532
2-(2-Chlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164618672
2-(2-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164621242
2-(3-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164626207
2,3-Bis[(4-chlorophenyl)sulfanyl]quinoxaline
CID 2823797
2-((2-Chlorophenyl)sulfanyl)-3-(trifluoromethyl)quinoxaline
CID 1470967
4-(3-Chloroquinoxalin-2-yl)sulfanylaniline
CID 178298083

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The IUPAC name of 2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline (CID 164628651) is 2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline.
What is the SMILES notation for 2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The canonical SMILES for 2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline is Clc1cccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The InChIKey is FNQCWCQCHWXJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl5N2S/c16-8-4-3-7-11(12(8)17)23-14-13(15(18,19)20)21-9-5-1-2-6-10(9)22-14/h1-7H.
What are the key properties of 2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline has a molecular weight of 424.57 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline is sourced from PubChem (CID 164628651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).