ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid

C15H16N2O5S — CID 156832576

IUPACethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid
SMILESCC.COc1cc(O)cc2nc3cc(S(=O)(=O)O)ccc3nc12
InChIInChI=1S/C13H10N2O5S.C2H6/c1-20-12-5-7(16)4-11-13(12)15-9-3-2-8(21(17,18)19)6-10(9)14-11;1-2/h2-6,16H,1H3,(H,17,18,19);1-2H3
InChIKeyQDDFTQMRJGVJNW-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.77
Rot. Bonds2

About ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid

ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid (PubChem CID 156832576) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid.

Molecular Properties

Compound Nameethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid
PubChem CID156832576
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Nameethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid
SMILESCC.COc1cc(O)cc2nc3cc(S(=O)(=O)O)ccc3nc12
InChIInChI=1S/C13H10N2O5S.C2H6/c1-20-12-5-7(16)4-11-13(12)15-9-3-2-8(21(17,18)19)6-10(9)14-11;1-2/h2-6,16H,1H3,(H,17,18,19);1-2H3
InChIKeyQDDFTQMRJGVJNW-UHFFFAOYSA-N
XLogP2.77
TPSA109.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-9-methoxyphenazine-2-sulfonic acid
CID 146386121
4,9-dimethoxyphenazine-2,7-diol
CID 146380846
7-hydroxy-9-methoxy-3-methylphenazine-2-sulfonic acid;6-methoxy-3,8-dimethylphenazine-2-sulfonic acid
CID 162245752
8-hydroxy-7-nitrosophenazine-2-sulfonic acid
CID 146386159
calcium;hydride;4-hydroxy-3-methoxybenzenesulfonic acid
CID 174743804
4-methoxybenzene-1,3-disulfonic acid
CID 54483925
calcium;3,4-dimethoxybenzenesulfonic acid;hydride
CID 174743928
8-(dihydroxymethyl)-6-methoxyphenazine-2,3-diol
CID 166717796
4,9-dimethoxyphenazine-2,7-dicarboxylic acid
CID 146380937
4-methoxy-3-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzenesulfonic acid
CID 89270814
3-bromo-4-methoxybenzenesulfonic acid;hydrochloride
CID 174435857
3-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836017

Frequently Asked Questions

What is the IUPAC name of ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid?
The IUPAC name of ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid (CID 156832576) is ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid.
What is the SMILES notation for ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid?
The canonical SMILES for ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid is CC.COc1cc(O)cc2nc3cc(S(=O)(=O)O)ccc3nc12.
What is the InChIKey of ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid?
The InChIKey is QDDFTQMRJGVJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5S.C2H6/c1-20-12-5-7(16)4-11-13(12)15-9-3-2-8(21(17,18)19)6-10(9)14-11;1-2/h2-6,16H,1H3,(H,17,18,19);1-2H3.
What are the key properties of ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid?
ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid has a molecular weight of 336.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-hydroxy-6-methoxyphenazine-2-sulfonic acid is sourced from PubChem (CID 156832576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).