2-(3,5-dimethylphenyl)sulfonylquinoxaline

C16H14N2O2S — CID 3792610

IUPAC2-(3,5-dimethylphenyl)sulfonylquinoxaline
SMILESCc1cc(C)cc(S(=O)(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C16H14N2O2S/c1-11-7-12(2)9-13(8-11)21(19,20)16-10-17-14-5-3-4-6-15(14)18-16/h3-10H,1-2H3
InChIKeyLLFJKMJCYIKABQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.08
Rot. Bonds2

About 2-(3,5-dimethylphenyl)sulfonylquinoxaline

2-(3,5-dimethylphenyl)sulfonylquinoxaline (PubChem CID 3792610) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)sulfonylquinoxaline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)sulfonylquinoxaline
PubChem CID3792610
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(3,5-dimethylphenyl)sulfonylquinoxaline
SMILESCc1cc(C)cc(S(=O)(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C16H14N2O2S/c1-11-7-12(2)9-13(8-11)21(19,20)16-10-17-14-5-3-4-6-15(14)18-16/h3-10H,1-2H3
InChIKeyLLFJKMJCYIKABQ-UHFFFAOYSA-N
XLogP3.08
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk-215083 C-11
CID 11696674
CID 10172764
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8-(1-Methylpiperidin-4-yl)-3-(pyridin-2-ylsulfonyl)quinoline
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2-(Benzylsulfonyl)quinoxaline
CID 3585815
2-(Phenylsulfanyl)quinoxaline
CID 5100142
2-[(4-Methylphenyl)sulfanyl]quinoxaline
CID 3393241
2-(4-Chlorophenyl)sulfonylquinoxaline
CID 3720993
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
3-(8-Phenyl-1,5-naphthyridin-2-yl)benzenesulfonamide
CID 145962446

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)sulfonylquinoxaline?
The IUPAC name of 2-(3,5-dimethylphenyl)sulfonylquinoxaline (CID 3792610) is 2-(3,5-dimethylphenyl)sulfonylquinoxaline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)sulfonylquinoxaline?
The canonical SMILES for 2-(3,5-dimethylphenyl)sulfonylquinoxaline is Cc1cc(C)cc(S(=O)(=O)c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)sulfonylquinoxaline?
The InChIKey is LLFJKMJCYIKABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-7-12(2)9-13(8-11)21(19,20)16-10-17-14-5-3-4-6-15(14)18-16/h3-10H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)sulfonylquinoxaline?
2-(3,5-dimethylphenyl)sulfonylquinoxaline has a molecular weight of 298.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)sulfonylquinoxaline is sourced from PubChem (CID 3792610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).