3,6-dichloro-2-methylsulfonylquinoxaline

C9H6Cl2N2O2S — CID 16732511

IUPAC3,6-dichloro-2-methylsulfonylquinoxaline
SMILESCS(=O)(=O)c1nc2ccc(Cl)cc2nc1Cl
InChIInChI=1S/C9H6Cl2N2O2S/c1-16(14,15)9-8(11)12-7-4-5(10)2-3-6(7)13-9/h2-4H,1H3
InChIKeyYBOMNVKTGXETTH-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.34
Rot. Bonds1

About 3,6-dichloro-2-methylsulfonylquinoxaline

3,6-dichloro-2-methylsulfonylquinoxaline (PubChem CID 16732511) has the molecular formula C9H6Cl2N2O2S and a molecular weight of 277.13 g/mol. Its IUPAC name is 3,6-dichloro-2-methylsulfonylquinoxaline.

Molecular Properties

Compound Name3,6-dichloro-2-methylsulfonylquinoxaline
PubChem CID16732511
Molecular FormulaC9H6Cl2N2O2S
Molecular Weight277.13 g/mol
Exact Mass275.95
IUPAC Name3,6-dichloro-2-methylsulfonylquinoxaline
SMILESCS(=O)(=O)c1nc2ccc(Cl)cc2nc1Cl
InChIInChI=1S/C9H6Cl2N2O2S/c1-16(14,15)9-8(11)12-7-4-5(10)2-3-6(7)13-9/h2-4H,1H3
InChIKeyYBOMNVKTGXETTH-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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Related Compounds

2-Chloro-3-methylsulfonylquinoxaline
CID 16731939
N-butyl-7-chloro-3-methylsulfonylquinoxalin-2-amine
CID 118726539
6,7-Dichloro-2-methanesulfonyl-3-trifluoromethylquinoxaline
CID 9862981
6,7-Dichloro-2-(isopropylthio)-3-(methylsulfonyl)quinoxaline
CID 22341065
6,7-dichloro-N,N-dimethyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341109
6,7-Dichloro-2-(methylsulfonyl)-3-propylquinoxaline
CID 22341131
6,7-Dichloro-2-isopropyl-3-(methylsulfonyl)quinoxaline
CID 22341206
3,6-Dichloro-2-methylsulfinylquinoxaline
CID 118726438
6-Bromo-3-chloro-2-methanesulfonylquinoxaline
CID 118726439
6,7-Dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341203
6,7-Dichloro-2-isopropyl-3-(methylsulfinyl)quinoxaline
CID 22341205
3,6-Dichloro-2-methylsulfanylquinoxaline
CID 86055868

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methylsulfonylquinoxaline?
The IUPAC name of 3,6-dichloro-2-methylsulfonylquinoxaline (CID 16732511) is 3,6-dichloro-2-methylsulfonylquinoxaline.
What is the SMILES notation for 3,6-dichloro-2-methylsulfonylquinoxaline?
The canonical SMILES for 3,6-dichloro-2-methylsulfonylquinoxaline is CS(=O)(=O)c1nc2ccc(Cl)cc2nc1Cl.
What is the InChIKey of 3,6-dichloro-2-methylsulfonylquinoxaline?
The InChIKey is YBOMNVKTGXETTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2S/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 3,6-dichloro-2-methylsulfonylquinoxaline?
3,6-dichloro-2-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 3,6-dichloro-2-methylsulfonylquinoxaline is sourced from PubChem (CID 16732511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).