2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline

C15H7Cl5N2S — CID 164618424

IUPAC2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
SMILESClc1ccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)c(Cl)c1
InChIInChI=1S/C15H7Cl5N2S/c16-8-5-6-12(9(17)7-8)23-14-13(15(18,19)20)21-10-3-1-2-4-11(10)22-14/h1-7H
InChIKeyQWQQWEKNTUFDSA-UHFFFAOYSA-N
MW424.57 g/mol
LogP6.91
Rot. Bonds2

About 2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline

2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline (PubChem CID 164618424) has the molecular formula C15H7Cl5N2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
PubChem CID164618424
Molecular FormulaC15H7Cl5N2S
Molecular Weight424.57 g/mol
Exact Mass421.88
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
SMILESClc1ccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)c(Cl)c1
InChIInChI=1S/C15H7Cl5N2S/c16-8-5-6-12(9(17)7-8)23-14-13(15(18,19)20)21-10-3-1-2-4-11(10)22-14/h1-7H
InChIKeyQWQQWEKNTUFDSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline (CID 164618424) is 2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline is Clc1ccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The InChIKey is QWQQWEKNTUFDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl5N2S/c16-8-5-6-12(9(17)7-8)23-14-13(15(18,19)20)21-10-3-1-2-4-11(10)22-14/h1-7H.
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
2-(2,4-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-(2,4-dichlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline is sourced from PubChem (CID 164618424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).