5-methyl-4-methylsulfonylphenazin-1-one

C14H12N2O3S — CID 86103939

IUPAC5-methyl-4-methylsulfonylphenazin-1-one
SMILESCn1c2c(S(C)(=O)=O)ccc(=O)c-2nc2ccccc21
InChIInChI=1S/C14H12N2O3S/c1-16-10-6-4-3-5-9(10)15-13-11(17)7-8-12(14(13)16)20(2,18)19/h3-8H,1-2H3
InChIKeyJAWHYSIPQQSJRI-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.44
Rot. Bonds1

About 5-methyl-4-methylsulfonylphenazin-1-one

5-methyl-4-methylsulfonylphenazin-1-one (PubChem CID 86103939) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-methyl-4-methylsulfonylphenazin-1-one.

Molecular Properties

Compound Name5-methyl-4-methylsulfonylphenazin-1-one
PubChem CID86103939
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name5-methyl-4-methylsulfonylphenazin-1-one
SMILESCn1c2c(S(C)(=O)=O)ccc(=O)c-2nc2ccccc21
InChIInChI=1S/C14H12N2O3S/c1-16-10-6-4-3-5-9(10)15-13-11(17)7-8-12(14(13)16)20(2,18)19/h3-8H,1-2H3
InChIKeyJAWHYSIPQQSJRI-UHFFFAOYSA-N
XLogP1.44
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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2-(disulfanyl)-1-methylbenzimidazole
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3-(dimethylamino)-1-methylquinoxalin-2-one
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2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79559017
CID 140577195
CID 140577195
3-ethenyl-1-methylquinoxalin-2-one
CID 174761373
1,2-dimethylbenzimidazole;formaldehyde;methanol
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1-methyl-3-morpholin-4-ylquinoxalin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfonylphenazin-1-one?
The IUPAC name of 5-methyl-4-methylsulfonylphenazin-1-one (CID 86103939) is 5-methyl-4-methylsulfonylphenazin-1-one.
What is the SMILES notation for 5-methyl-4-methylsulfonylphenazin-1-one?
The canonical SMILES for 5-methyl-4-methylsulfonylphenazin-1-one is Cn1c2c(S(C)(=O)=O)ccc(=O)c-2nc2ccccc21.
What is the InChIKey of 5-methyl-4-methylsulfonylphenazin-1-one?
The InChIKey is JAWHYSIPQQSJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-16-10-6-4-3-5-9(10)15-13-11(17)7-8-12(14(13)16)20(2,18)19/h3-8H,1-2H3.
What are the key properties of 5-methyl-4-methylsulfonylphenazin-1-one?
5-methyl-4-methylsulfonylphenazin-1-one has a molecular weight of 288.33 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylsulfonylphenazin-1-one is sourced from PubChem (CID 86103939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).