3-chloro-6-methoxy-2-methylsulfonylquinoxaline

C10H9ClN2O3S — CID 86055665

IUPAC3-chloro-6-methoxy-2-methylsulfonylquinoxaline
SMILESCOc1ccc2nc(S(C)(=O)=O)c(Cl)nc2c1
InChIInChI=1S/C10H9ClN2O3S/c1-16-6-3-4-7-8(5-6)12-9(11)10(13-7)17(2,14)15/h3-5H,1-2H3
InChIKeyYHCUCERITCFWSK-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.70
Rot. Bonds2

About 3-chloro-6-methoxy-2-methylsulfonylquinoxaline

3-chloro-6-methoxy-2-methylsulfonylquinoxaline (PubChem CID 86055665) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 3-chloro-6-methoxy-2-methylsulfonylquinoxaline.

Molecular Properties

Compound Name3-chloro-6-methoxy-2-methylsulfonylquinoxaline
PubChem CID86055665
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name3-chloro-6-methoxy-2-methylsulfonylquinoxaline
SMILESCOc1ccc2nc(S(C)(=O)=O)c(Cl)nc2c1
InChIInChI=1S/C10H9ClN2O3S/c1-16-6-3-4-7-8(5-6)12-9(11)10(13-7)17(2,14)15/h3-5H,1-2H3
InChIKeyYHCUCERITCFWSK-UHFFFAOYSA-N
XLogP1.70
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-2-methylsulfonylquinoxaline?
The IUPAC name of 3-chloro-6-methoxy-2-methylsulfonylquinoxaline (CID 86055665) is 3-chloro-6-methoxy-2-methylsulfonylquinoxaline.
What is the SMILES notation for 3-chloro-6-methoxy-2-methylsulfonylquinoxaline?
The canonical SMILES for 3-chloro-6-methoxy-2-methylsulfonylquinoxaline is COc1ccc2nc(S(C)(=O)=O)c(Cl)nc2c1.
What is the InChIKey of 3-chloro-6-methoxy-2-methylsulfonylquinoxaline?
The InChIKey is YHCUCERITCFWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-16-6-3-4-7-8(5-6)12-9(11)10(13-7)17(2,14)15/h3-5H,1-2H3.
What are the key properties of 3-chloro-6-methoxy-2-methylsulfonylquinoxaline?
3-chloro-6-methoxy-2-methylsulfonylquinoxaline has a molecular weight of 272.71 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-2-methylsulfonylquinoxaline is sourced from PubChem (CID 86055665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).