sodium;hydride;phenazine-1-sulfonic acid

C12H9N2NaO3S — CID 174984753

IUPACsodium;hydride;phenazine-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2nc3ccccc3nc12.[H-].[Na+]
InChIInChI=1S/C12H8N2O3S.Na.H/c15-18(16,17)11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10;;/h1-7H,(H,15,16,17);;/q;+1;-1
InChIKeyLKEHRRFQZIUKER-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.85
Rot. Bonds1

About sodium;hydride;phenazine-1-sulfonic acid

sodium;hydride;phenazine-1-sulfonic acid (PubChem CID 174984753) has the molecular formula C12H9N2NaO3S and a molecular weight of 284.27 g/mol. Its IUPAC name is sodium;hydride;phenazine-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;phenazine-1-sulfonic acid
PubChem CID174984753
Molecular FormulaC12H9N2NaO3S
Molecular Weight284.27 g/mol
Exact Mass284.02
IUPAC Namesodium;hydride;phenazine-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2nc3ccccc3nc12.[H-].[Na+]
InChIInChI=1S/C12H8N2O3S.Na.H/c15-18(16,17)11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10;;/h1-7H,(H,15,16,17);;/q;+1;-1
InChIKeyLKEHRRFQZIUKER-UHFFFAOYSA-N
XLogP-0.85
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver
CID 173386436
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
1H-benzo[g]pteridine-2,4-dione;9,10-dioxoanthracene-1,5-disulfonic acid
CID 88922723
5,12,20,27-tetraoxo-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),2,4(13),6(11),7,9,14,16,19(28),21,23,25,29-tridecaene-10-sulfonic acid
CID 56637927
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
sodium;1H-benzimidazole-4-sulfonic acid;hydride
CID 173431906
potassium;2-chlorobenzenesulfonic acid;hydride
CID 173108093
naphthalene-1-sulfonic acid
CID 158712346
trisodium;hydride;2-phosphanylbenzenesulfonic acid
CID 173271580
magnesium;hydride;phenanthrene-1-sulfonic acid
CID 174836310
CID 87877281
CID 87877281

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenazine-1-sulfonic acid?
The IUPAC name of sodium;hydride;phenazine-1-sulfonic acid (CID 174984753) is sodium;hydride;phenazine-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;phenazine-1-sulfonic acid?
The canonical SMILES for sodium;hydride;phenazine-1-sulfonic acid is O=S(=O)(O)c1cccc2nc3ccccc3nc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenazine-1-sulfonic acid?
The InChIKey is LKEHRRFQZIUKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S.Na.H/c15-18(16,17)11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10;;/h1-7H,(H,15,16,17);;/q;+1;-1.
What are the key properties of sodium;hydride;phenazine-1-sulfonic acid?
sodium;hydride;phenazine-1-sulfonic acid has a molecular weight of 284.27 g/mol, XLogP of -0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenazine-1-sulfonic acid is sourced from PubChem (CID 174984753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).