2-[(2-methylphenyl)methylsulfonyl]quinoxaline

C16H14N2O2S — CID 5163693

IUPAC2-[(2-methylphenyl)methylsulfonyl]quinoxaline
SMILESCc1ccccc1CS(=O)(=O)c1cnc2ccccc2n1
InChIInChI=1S/C16H14N2O2S/c1-12-6-2-3-7-13(12)11-21(19,20)16-10-17-14-8-4-5-9-15(14)18-16/h2-10H,11H2,1H3
InChIKeyYSKUMRJQXCGCBL-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.91
Rot. Bonds3

About 2-[(2-methylphenyl)methylsulfonyl]quinoxaline

2-[(2-methylphenyl)methylsulfonyl]quinoxaline (PubChem CID 5163693) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfonyl]quinoxaline.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfonyl]quinoxaline
PubChem CID5163693
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-[(2-methylphenyl)methylsulfonyl]quinoxaline
SMILESCc1ccccc1CS(=O)(=O)c1cnc2ccccc2n1
InChIInChI=1S/C16H14N2O2S/c1-12-6-2-3-7-13(12)11-21(19,20)16-10-17-14-8-4-5-9-15(14)18-16/h2-10H,11H2,1H3
InChIKeyYSKUMRJQXCGCBL-UHFFFAOYSA-N
XLogP2.91
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk-215083 C-11
CID 11696674
CID 10172764
CID 10172764
2-(Benzylsulfonyl)quinoxaline
CID 3585815
2-(Phenylsulfanyl)quinoxaline
CID 5100142
2-[(4-Methylphenyl)sulfanyl]quinoxaline
CID 3393241
2-(3-Methylsulfonylphenyl)-8-pyridin-4-yl-1,5-naphthyridine
CID 145960960
Methyl(phenylsulfonyl)-8-quinolylamine
CID 720583
2-(Methylsulfonyl)quinoxaline
CID 85363
Quinoxalinium, 1-methyl-, 4-methylbenzenesulfonate (1:1)
CID 162161
2-[(3,5-Dimethylphenyl)sulfonyl]quinoxaline
CID 3792610
2-[3''-(Methylsulfonyl)biphenyl-4-yl]-5-(trifluoromethyl)quinoxaline
CID 46202906
3-(Benzenesulfonyl)quinoline
CID 3287047

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfonyl]quinoxaline?
The IUPAC name of 2-[(2-methylphenyl)methylsulfonyl]quinoxaline (CID 5163693) is 2-[(2-methylphenyl)methylsulfonyl]quinoxaline.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfonyl]quinoxaline?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfonyl]quinoxaline is Cc1ccccc1CS(=O)(=O)c1cnc2ccccc2n1.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfonyl]quinoxaline?
The InChIKey is YSKUMRJQXCGCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-12-6-2-3-7-13(12)11-21(19,20)16-10-17-14-8-4-5-9-15(14)18-16/h2-10H,11H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methylsulfonyl]quinoxaline?
2-[(2-methylphenyl)methylsulfonyl]quinoxaline has a molecular weight of 298.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfonyl]quinoxaline is sourced from PubChem (CID 5163693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).