2-benzylsulfonylquinoxaline

C15H12N2O2S — CID 3585815

IUPAC2-benzylsulfonylquinoxaline
SMILESO=S(=O)(Cc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C15H12N2O2S/c18-20(19,11-12-6-2-1-3-7-12)15-10-16-13-8-4-5-9-14(13)17-15/h1-10H,11H2
InChIKeyCIRYNKZETYPXBZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.60
Rot. Bonds3

About 2-benzylsulfonylquinoxaline

2-benzylsulfonylquinoxaline (PubChem CID 3585815) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-benzylsulfonylquinoxaline.

Molecular Properties

Compound Name2-benzylsulfonylquinoxaline
PubChem CID3585815
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-benzylsulfonylquinoxaline
SMILESO=S(=O)(Cc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C15H12N2O2S/c18-20(19,11-12-6-2-1-3-7-12)15-10-16-13-8-4-5-9-14(13)17-15/h1-10H,11H2
InChIKeyCIRYNKZETYPXBZ-UHFFFAOYSA-N
XLogP2.60
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonylquinoxaline?
The IUPAC name of 2-benzylsulfonylquinoxaline (CID 3585815) is 2-benzylsulfonylquinoxaline.
What is the SMILES notation for 2-benzylsulfonylquinoxaline?
The canonical SMILES for 2-benzylsulfonylquinoxaline is O=S(=O)(Cc1ccccc1)c1cnc2ccccc2n1.
What is the InChIKey of 2-benzylsulfonylquinoxaline?
The InChIKey is CIRYNKZETYPXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-20(19,11-12-6-2-1-3-7-12)15-10-16-13-8-4-5-9-14(13)17-15/h1-10H,11H2.
What are the key properties of 2-benzylsulfonylquinoxaline?
2-benzylsulfonylquinoxaline has a molecular weight of 284.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonylquinoxaline is sourced from PubChem (CID 3585815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).