5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline

C11H14F2N2O2S — CID 115510148

IUPAC5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCS(=O)(=O)CCC1CNc2c(F)cc(F)cc2N1
InChIInChI=1S/C11H14F2N2O2S/c1-18(16,17)3-2-8-6-14-11-9(13)4-7(12)5-10(11)15-8/h4-5,8,14-15H,2-3,6H2,1H3
InChIKeyKGXYQQAEDWDKJD-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.61
Rot. Bonds3

About 5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline

5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 115510148) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID115510148
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCS(=O)(=O)CCC1CNc2c(F)cc(F)cc2N1
InChIInChI=1S/C11H14F2N2O2S/c1-18(16,17)3-2-8-6-14-11-9(13)4-7(12)5-10(11)15-8/h4-5,8,14-15H,2-3,6H2,1H3
InChIKeyKGXYQQAEDWDKJD-UHFFFAOYSA-N
XLogP1.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline (CID 115510148) is 5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline is CS(=O)(=O)CCC1CNc2c(F)cc(F)cc2N1.
What is the InChIKey of 5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is KGXYQQAEDWDKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c1-18(16,17)3-2-8-6-14-11-9(13)4-7(12)5-10(11)15-8/h4-5,8,14-15H,2-3,6H2,1H3.
What are the key properties of 5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline?
5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 276.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 115510148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).