sodium 8-hydroxyquinoline-5-sulfonate

C9H6NNaO4S — CID 23719445

IUPACsodium 8-hydroxyquinoline-5-sulfonate
SMILESO=S(=O)([O-])c1ccc(O)c2ncccc12.[Na+]
InChIInChI=1S/C9H7NO4S.Na/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h1-5,11H,(H,12,13,14);/q;+1/p-1
InChIKeyIIABRHKOFVJBEV-UHFFFAOYSA-M
MW247.21 g/mol
LogP-2.15
Rot. Bonds1

About sodium 8-hydroxyquinoline-5-sulfonate

sodium 8-hydroxyquinoline-5-sulfonate (PubChem CID 23719445) has the molecular formula C9H6NNaO4S and a molecular weight of 247.21 g/mol. Its IUPAC name is sodium 8-hydroxyquinoline-5-sulfonate.

Molecular Properties

Compound Namesodium 8-hydroxyquinoline-5-sulfonate
PubChem CID23719445
Molecular FormulaC9H6NNaO4S
Molecular Weight247.21 g/mol
Exact Mass246.99
IUPAC Namesodium 8-hydroxyquinoline-5-sulfonate
SMILESO=S(=O)([O-])c1ccc(O)c2ncccc12.[Na+]
InChIInChI=1S/C9H7NO4S.Na/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h1-5,11H,(H,12,13,14);/q;+1/p-1
InChIKeyIIABRHKOFVJBEV-UHFFFAOYSA-M
XLogP-2.15
TPSA90.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxyquinoline-5-sulfonate
CID 5260546
CID 173241757
CID 173241757
[amino(anilino)methylidene]-phenylazanium;8-hydroxyquinoline-5-sulfonate
CID 139071002
sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate
CID 23696930
5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
CID 122441904
5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol
CID 122442023
5-(8-hydroxyquinolin-5-yl)sulfonyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15654935
5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol
CID 122441924
8-hydroxyquinoline-4-sulfonyl chloride
CID 55280284
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol
CID 122442001
dipotassium;quinolin-8-ol;sulfate
CID 24820574
5-bromoquinolin-8-ol;nickel
CID 175092761

Frequently Asked Questions

What is the IUPAC name of sodium 8-hydroxyquinoline-5-sulfonate?
The IUPAC name of sodium 8-hydroxyquinoline-5-sulfonate (CID 23719445) is sodium 8-hydroxyquinoline-5-sulfonate.
What is the SMILES notation for sodium 8-hydroxyquinoline-5-sulfonate?
The canonical SMILES for sodium 8-hydroxyquinoline-5-sulfonate is O=S(=O)([O-])c1ccc(O)c2ncccc12.[Na+].
What is the InChIKey of sodium 8-hydroxyquinoline-5-sulfonate?
The InChIKey is IIABRHKOFVJBEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7NO4S.Na/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h1-5,11H,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium 8-hydroxyquinoline-5-sulfonate?
sodium 8-hydroxyquinoline-5-sulfonate has a molecular weight of 247.21 g/mol, XLogP of -2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-hydroxyquinoline-5-sulfonate is sourced from PubChem (CID 23719445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).