sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride

C10H7NaO5S — CID 173009524

IUPACsodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride
SMILESO=C1C=C(S(=O)(=O)O)C(=O)c2ccccc21.[H-].[Na+]
InChIInChI=1S/C10H6O5S.Na.H/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;;/h1-5H,(H,13,14,15);;/q;+1;-1
InChIKeyUXLNIYUASNJZBR-UHFFFAOYSA-N
MW262.22 g/mol
LogP-2.05
Rot. Bonds1

About sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride

sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride (PubChem CID 173009524) has the molecular formula C10H7NaO5S and a molecular weight of 262.22 g/mol. Its IUPAC name is sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride
PubChem CID173009524
Molecular FormulaC10H7NaO5S
Molecular Weight262.22 g/mol
Exact Mass261.99
IUPAC Namesodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride
SMILESO=C1C=C(S(=O)(=O)O)C(=O)c2ccccc21.[H-].[Na+]
InChIInChI=1S/C10H6O5S.Na.H/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;;/h1-5H,(H,13,14,15);;/q;+1;-1
InChIKeyUXLNIYUASNJZBR-UHFFFAOYSA-N
XLogP-2.05
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-2.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K
CID 87254371
azane;1,4-dioxonaphthalene-2-sulfonic acid
CID 131881245
1,4-dioxonaphthalene-2,6-disulfonic acid
CID 138620633
sodium;anthracene-9,10-dione;hydride;sulfuric acid
CID 173166702
2-(2-methylpropylsulfonyl)naphthalene-1,4-dione
CID 139943389
sodium;fluoren-9-one;hydride
CID 174594472
lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride
CID 174968408
lithium;anthracene-9,10-dione;hydride
CID 174683199
2-methylnaphthalene-1,4-dione
CID 102070817
2-chloronaphthalene-1,4-dione
CID 12503870
3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)
CID 139842307
2-chloronaphthalene-1,4-dione;sulfane
CID 174978325

Frequently Asked Questions

What is the IUPAC name of sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride?
The IUPAC name of sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride (CID 173009524) is sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride.
What is the SMILES notation for sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride?
The canonical SMILES for sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride is O=C1C=C(S(=O)(=O)O)C(=O)c2ccccc21.[H-].[Na+].
What is the InChIKey of sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride?
The InChIKey is UXLNIYUASNJZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O5S.Na.H/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;;/h1-5H,(H,13,14,15);;/q;+1;-1.
What are the key properties of sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride?
sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride has a molecular weight of 262.22 g/mol, XLogP of -2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride is sourced from PubChem (CID 173009524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).