2,6-dichloro-3-methylsulfonylquinoxaline

C9H6Cl2N2O2S — CID 16732512

IUPAC2,6-dichloro-3-methylsulfonylquinoxaline
SMILESCS(=O)(=O)c1nc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C9H6Cl2N2O2S/c1-16(14,15)9-8(11)12-6-3-2-5(10)4-7(6)13-9/h2-4H,1H3
InChIKeyHULMGOUAVTTXRE-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.34
Rot. Bonds1

About 2,6-dichloro-3-methylsulfonylquinoxaline

2,6-dichloro-3-methylsulfonylquinoxaline (PubChem CID 16732512) has the molecular formula C9H6Cl2N2O2S and a molecular weight of 277.13 g/mol. Its IUPAC name is 2,6-dichloro-3-methylsulfonylquinoxaline.

Molecular Properties

Compound Name2,6-dichloro-3-methylsulfonylquinoxaline
PubChem CID16732512
Molecular FormulaC9H6Cl2N2O2S
Molecular Weight277.13 g/mol
Exact Mass275.95
IUPAC Name2,6-dichloro-3-methylsulfonylquinoxaline
SMILESCS(=O)(=O)c1nc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C9H6Cl2N2O2S/c1-16(14,15)9-8(11)12-6-3-2-5(10)4-7(6)13-9/h2-4H,1H3
InChIKeyHULMGOUAVTTXRE-UHFFFAOYSA-N
XLogP2.34
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methylsulfonylquinoxaline?
The IUPAC name of 2,6-dichloro-3-methylsulfonylquinoxaline (CID 16732512) is 2,6-dichloro-3-methylsulfonylquinoxaline.
What is the SMILES notation for 2,6-dichloro-3-methylsulfonylquinoxaline?
The canonical SMILES for 2,6-dichloro-3-methylsulfonylquinoxaline is CS(=O)(=O)c1nc2cc(Cl)ccc2nc1Cl.
What is the InChIKey of 2,6-dichloro-3-methylsulfonylquinoxaline?
The InChIKey is HULMGOUAVTTXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2S/c1-16(14,15)9-8(11)12-6-3-2-5(10)4-7(6)13-9/h2-4H,1H3.
What are the key properties of 2,6-dichloro-3-methylsulfonylquinoxaline?
2,6-dichloro-3-methylsulfonylquinoxaline has a molecular weight of 277.13 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methylsulfonylquinoxaline is sourced from PubChem (CID 16732512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).