2-(4-bromophenyl)sulfanylquinoxaline

C14H9BrN2S — CID 3749824

IUPAC2-(4-bromophenyl)sulfanylquinoxaline
SMILESBrc1ccc(Sc2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H9BrN2S/c15-10-5-7-11(8-6-10)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H
InChIKeyDLEVHRRCGGGEIE-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.54
Rot. Bonds2

About 2-(4-bromophenyl)sulfanylquinoxaline

2-(4-bromophenyl)sulfanylquinoxaline (PubChem CID 3749824) has the molecular formula C14H9BrN2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanylquinoxaline.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanylquinoxaline
PubChem CID3749824
Molecular FormulaC14H9BrN2S
Molecular Weight317.21 g/mol
Exact Mass315.97
IUPAC Name2-(4-bromophenyl)sulfanylquinoxaline
SMILESBrc1ccc(Sc2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H9BrN2S/c15-10-5-7-11(8-6-10)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H
InChIKeyDLEVHRRCGGGEIE-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)sulfanylquinoxaline 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-(4-bromophenyl)sulfanylquinoxaline?
The IUPAC name of 2-(4-bromophenyl)sulfanylquinoxaline (CID 3749824) is 2-(4-bromophenyl)sulfanylquinoxaline.
What is the SMILES notation for 2-(4-bromophenyl)sulfanylquinoxaline?
The canonical SMILES for 2-(4-bromophenyl)sulfanylquinoxaline is Brc1ccc(Sc2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanylquinoxaline?
The InChIKey is DLEVHRRCGGGEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2S/c15-10-5-7-11(8-6-10)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H.
What are the key properties of 2-(4-bromophenyl)sulfanylquinoxaline?
2-(4-bromophenyl)sulfanylquinoxaline has a molecular weight of 317.21 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanylquinoxaline is sourced from PubChem (CID 3749824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).