6-bromo-3-chloro-2-methylsulfonylquinoxaline

C9H6BrClN2O2S — CID 118726439

IUPAC6-bromo-3-chloro-2-methylsulfonylquinoxaline
SMILESCS(=O)(=O)c1nc2ccc(Br)cc2nc1Cl
InChIInChI=1S/C9H6BrClN2O2S/c1-16(14,15)9-8(11)12-7-4-5(10)2-3-6(7)13-9/h2-4H,1H3
InChIKeyUAWGMHHHIZOCHR-UHFFFAOYSA-N
MW321.58 g/mol
LogP2.45
Rot. Bonds1

About 6-bromo-3-chloro-2-methylsulfonylquinoxaline

6-bromo-3-chloro-2-methylsulfonylquinoxaline (PubChem CID 118726439) has the molecular formula C9H6BrClN2O2S and a molecular weight of 321.58 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-methylsulfonylquinoxaline.

Molecular Properties

Compound Name6-bromo-3-chloro-2-methylsulfonylquinoxaline
PubChem CID118726439
Molecular FormulaC9H6BrClN2O2S
Molecular Weight321.58 g/mol
Exact Mass319.90
IUPAC Name6-bromo-3-chloro-2-methylsulfonylquinoxaline
SMILESCS(=O)(=O)c1nc2ccc(Br)cc2nc1Cl
InChIInChI=1S/C9H6BrClN2O2S/c1-16(14,15)9-8(11)12-7-4-5(10)2-3-6(7)13-9/h2-4H,1H3
InChIKeyUAWGMHHHIZOCHR-UHFFFAOYSA-N
XLogP2.45
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.58
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-3-methylsulfonylquinoxaline
CID 16731939
3,6-Dichloro-2-methylsulfonylquinoxaline
CID 16732511
3-Chloro-2-(methylthio)quinoxaline
CID 90442310
6-Bromo-3-chloro-2-(methylsulfanyl)quinoxaline
CID 118726431
6-Bromo-2-chloro-3-methylquinoxaline
CID 13487186
6-Bromo-3-methyl-2-phenylsulfanylquinoxaline
CID 122189749
Chloroquinoxaline sulphonamide
CID 53628440
2-Chloro-6-fluoro-3-methylsulfonylquinoxaline
CID 89921422
2-Fluoro-3-methylsulfonylquinoxaline
CID 151892035
3-Chloro-6-fluoro-2-methylsulfonylquinoxaline
CID 153941250
2,6-Dichloro-3-methylsulfonylquinoxaline
CID 16732512
2-Chloro-3-(phenylsulfonyl)quinoxaline
CID 17178162

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-methylsulfonylquinoxaline?
The IUPAC name of 6-bromo-3-chloro-2-methylsulfonylquinoxaline (CID 118726439) is 6-bromo-3-chloro-2-methylsulfonylquinoxaline.
What is the SMILES notation for 6-bromo-3-chloro-2-methylsulfonylquinoxaline?
The canonical SMILES for 6-bromo-3-chloro-2-methylsulfonylquinoxaline is CS(=O)(=O)c1nc2ccc(Br)cc2nc1Cl.
What is the InChIKey of 6-bromo-3-chloro-2-methylsulfonylquinoxaline?
The InChIKey is UAWGMHHHIZOCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2S/c1-16(14,15)9-8(11)12-7-4-5(10)2-3-6(7)13-9/h2-4H,1H3.
What are the key properties of 6-bromo-3-chloro-2-methylsulfonylquinoxaline?
6-bromo-3-chloro-2-methylsulfonylquinoxaline has a molecular weight of 321.58 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2-methylsulfonylquinoxaline is sourced from PubChem (CID 118726439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).