10-methyl-4-oxophenazine-2-sulfonate

C13H9N2O4S- — CID 23275484

IUPAC10-methyl-4-oxophenazine-2-sulfonate
SMILESCn1c2cc(S(=O)(=O)[O-])cc(=O)c-2nc2ccccc21
InChIInChI=1S/C13H10N2O4S/c1-15-10-5-3-2-4-9(10)14-13-11(15)6-8(7-12(13)16)20(17,18)19/h2-7H,1H3,(H,17,18,19)/p-1
InChIKeyJKSRUECZROXHPH-UHFFFAOYSA-M
MW289.29 g/mol
LogP0.94
Rot. Bonds1

About 10-methyl-4-oxophenazine-2-sulfonate

10-methyl-4-oxophenazine-2-sulfonate (PubChem CID 23275484) has the molecular formula C13H9N2O4S- and a molecular weight of 289.29 g/mol. Its IUPAC name is 10-methyl-4-oxophenazine-2-sulfonate.

Molecular Properties

Compound Name10-methyl-4-oxophenazine-2-sulfonate
PubChem CID23275484
Molecular FormulaC13H9N2O4S-
Molecular Weight289.29 g/mol
Exact Mass289.03
IUPAC Name10-methyl-4-oxophenazine-2-sulfonate
SMILESCn1c2cc(S(=O)(=O)[O-])cc(=O)c-2nc2ccccc21
InChIInChI=1S/C13H10N2O4S/c1-15-10-5-3-2-4-9(10)14-13-11(15)6-8(7-12(13)16)20(17,18)19/h2-7H,1H3,(H,17,18,19)/p-1
InChIKeyJKSRUECZROXHPH-UHFFFAOYSA-M
XLogP0.94
TPSA92.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-oxophenazine-2-sulfonate?
The IUPAC name of 10-methyl-4-oxophenazine-2-sulfonate (CID 23275484) is 10-methyl-4-oxophenazine-2-sulfonate.
What is the SMILES notation for 10-methyl-4-oxophenazine-2-sulfonate?
The canonical SMILES for 10-methyl-4-oxophenazine-2-sulfonate is Cn1c2cc(S(=O)(=O)[O-])cc(=O)c-2nc2ccccc21.
What is the InChIKey of 10-methyl-4-oxophenazine-2-sulfonate?
The InChIKey is JKSRUECZROXHPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10N2O4S/c1-15-10-5-3-2-4-9(10)14-13-11(15)6-8(7-12(13)16)20(17,18)19/h2-7H,1H3,(H,17,18,19)/p-1.
What are the key properties of 10-methyl-4-oxophenazine-2-sulfonate?
10-methyl-4-oxophenazine-2-sulfonate has a molecular weight of 289.29 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-oxophenazine-2-sulfonate is sourced from PubChem (CID 23275484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).