2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline

C15H8BrCl3N2S — CID 164615318

IUPAC2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
SMILESClC(Cl)(Cl)c1nc2ccccc2nc1Sc1ccc(Br)cc1
InChIInChI=1S/C15H8BrCl3N2S/c16-9-5-7-10(8-6-9)22-14-13(15(17,18)19)20-11-3-1-2-4-12(11)21-14/h1-8H
InChIKeyUYPIVIXYQCPPCZ-UHFFFAOYSA-N
MW434.57 g/mol
LogP6.37
Rot. Bonds2

About 2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline

2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline (PubChem CID 164615318) has the molecular formula C15H8BrCl3N2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
PubChem CID164615318
Molecular FormulaC15H8BrCl3N2S
Molecular Weight434.57 g/mol
Exact Mass431.87
IUPAC Name2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
SMILESClC(Cl)(Cl)c1nc2ccccc2nc1Sc1ccc(Br)cc1
InChIInChI=1S/C15H8BrCl3N2S/c16-9-5-7-10(8-6-9)22-14-13(15(17,18)19)20-11-3-1-2-4-12(11)21-14/h1-8H
InChIKeyUYPIVIXYQCPPCZ-UHFFFAOYSA-N
XLogP6.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 56.37
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-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline (CID 164615318) is 2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline is ClC(Cl)(Cl)c1nc2ccccc2nc1Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The InChIKey is UYPIVIXYQCPPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl3N2S/c16-9-5-7-10(8-6-9)22-14-13(15(17,18)19)20-11-3-1-2-4-12(11)21-14/h1-8H.
What are the key properties of 2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline has a molecular weight of 434.57 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline is sourced from PubChem (CID 164615318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).