2-chloro-3-methylsulfonylquinoxaline

C9H7ClN2O2S — CID 16731939

IUPAC2-chloro-3-methylsulfonylquinoxaline
SMILESCS(=O)(=O)c1nc2ccccc2nc1Cl
InChIInChI=1S/C9H7ClN2O2S/c1-15(13,14)9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3
InChIKeyBKZCGGWLOGPEBC-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.69
Rot. Bonds1

About 2-chloro-3-methylsulfonylquinoxaline

2-chloro-3-methylsulfonylquinoxaline (PubChem CID 16731939) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 2-chloro-3-methylsulfonylquinoxaline.

Molecular Properties

Compound Name2-chloro-3-methylsulfonylquinoxaline
PubChem CID16731939
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name2-chloro-3-methylsulfonylquinoxaline
SMILESCS(=O)(=O)c1nc2ccccc2nc1Cl
InChIInChI=1S/C9H7ClN2O2S/c1-15(13,14)9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3
InChIKeyBKZCGGWLOGPEBC-UHFFFAOYSA-N
XLogP1.69
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-3-methylsulfonylquinoxaline 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-chloro-3-methylsulfonylquinoxaline?
The IUPAC name of 2-chloro-3-methylsulfonylquinoxaline (CID 16731939) is 2-chloro-3-methylsulfonylquinoxaline.
What is the SMILES notation for 2-chloro-3-methylsulfonylquinoxaline?
The canonical SMILES for 2-chloro-3-methylsulfonylquinoxaline is CS(=O)(=O)c1nc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-methylsulfonylquinoxaline?
The InChIKey is BKZCGGWLOGPEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c1-15(13,14)9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3.
What are the key properties of 2-chloro-3-methylsulfonylquinoxaline?
2-chloro-3-methylsulfonylquinoxaline has a molecular weight of 242.69 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylsulfonylquinoxaline is sourced from PubChem (CID 16731939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).