sodium;anthracene-2-sulfonic acid;hydride

C14H11NaO3S — CID 173016087

IUPACsodium;anthracene-2-sulfonic acid;hydride
SMILESO=S(=O)(O)c1ccc2cc3ccccc3cc2c1.[H-].[Na+]
InChIInChI=1S/C14H10O3S.Na.H/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;;/h1-9H,(H,15,16,17);;/q;+1;-1
InChIKeyCOJSSSXCQFLEBN-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.36
Rot. Bonds1

About sodium;anthracene-2-sulfonic acid;hydride

sodium;anthracene-2-sulfonic acid;hydride (PubChem CID 173016087) has the molecular formula C14H11NaO3S and a molecular weight of 282.30 g/mol. Its IUPAC name is sodium;anthracene-2-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;anthracene-2-sulfonic acid;hydride
PubChem CID173016087
Molecular FormulaC14H11NaO3S
Molecular Weight282.30 g/mol
Exact Mass282.03
IUPAC Namesodium;anthracene-2-sulfonic acid;hydride
SMILESO=S(=O)(O)c1ccc2cc3ccccc3cc2c1.[H-].[Na+]
InChIInChI=1S/C14H10O3S.Na.H/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;;/h1-9H,(H,15,16,17);;/q;+1;-1
InChIKeyCOJSSSXCQFLEBN-UHFFFAOYSA-N
XLogP0.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;anthracene-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

tetracene-2-sulfonic acid
CID 21483873
naphthalene-2-sulfonic acid
CID 8420
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
CID 88530425
CID 88530425
Dispersing Agent NNO
CID 156594502
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
anthracene-2,6-disulfonic acid;bis(guanidine)
CID 175713431
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
naphthalene-2,3,6-trisulfonic acid
CID 42609669
sodium;hydride;6-methylnaphthalene-2-sulfonic acid
CID 173399427

Frequently Asked Questions

What is the IUPAC name of sodium;anthracene-2-sulfonic acid;hydride?
The IUPAC name of sodium;anthracene-2-sulfonic acid;hydride (CID 173016087) is sodium;anthracene-2-sulfonic acid;hydride.
What is the SMILES notation for sodium;anthracene-2-sulfonic acid;hydride?
The canonical SMILES for sodium;anthracene-2-sulfonic acid;hydride is O=S(=O)(O)c1ccc2cc3ccccc3cc2c1.[H-].[Na+].
What is the InChIKey of sodium;anthracene-2-sulfonic acid;hydride?
The InChIKey is COJSSSXCQFLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S.Na.H/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;;/h1-9H,(H,15,16,17);;/q;+1;-1.
What are the key properties of sodium;anthracene-2-sulfonic acid;hydride?
sodium;anthracene-2-sulfonic acid;hydride has a molecular weight of 282.30 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;anthracene-2-sulfonic acid;hydride is sourced from PubChem (CID 173016087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).