8-hydroxyquinoline-5-sulfonate

C9H6NO4S- — CID 5260546

IUPAC8-hydroxyquinoline-5-sulfonate
SMILESO=S(=O)([O-])c1ccc(O)c2ncccc12
InChIInChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)/p-1
InChIKeyLGDFHDKSYGVKDC-UHFFFAOYSA-M
MW224.22 g/mol
LogP0.84
Rot. Bonds1

About 8-hydroxyquinoline-5-sulfonate

8-hydroxyquinoline-5-sulfonate (PubChem CID 5260546) has the molecular formula C9H6NO4S- and a molecular weight of 224.22 g/mol. Its IUPAC name is 8-hydroxyquinoline-5-sulfonate.

Molecular Properties

Compound Name8-hydroxyquinoline-5-sulfonate
PubChem CID5260546
Molecular FormulaC9H6NO4S-
Molecular Weight224.22 g/mol
Exact Mass224.00
IUPAC Name8-hydroxyquinoline-5-sulfonate
SMILESO=S(=O)([O-])c1ccc(O)c2ncccc12
InChIInChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)/p-1
InChIKeyLGDFHDKSYGVKDC-UHFFFAOYSA-M
XLogP0.84
TPSA90.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-hydroxyquinoline-5-sulfonate 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

sodium 8-hydroxyquinoline-5-sulfonate
CID 23719445
CID 173241757
CID 173241757
[amino(anilino)methylidene]-phenylazanium;8-hydroxyquinoline-5-sulfonate
CID 139071002
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
sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate
CID 23696930
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinolin-8-ol
CID 122442001
dipotassium;quinolin-8-ol;sulfate
CID 24820574
CID 172791001
CID 172791001

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyquinoline-5-sulfonate?
The IUPAC name of 8-hydroxyquinoline-5-sulfonate (CID 5260546) is 8-hydroxyquinoline-5-sulfonate.
What is the SMILES notation for 8-hydroxyquinoline-5-sulfonate?
The canonical SMILES for 8-hydroxyquinoline-5-sulfonate is O=S(=O)([O-])c1ccc(O)c2ncccc12.
What is the InChIKey of 8-hydroxyquinoline-5-sulfonate?
The InChIKey is LGDFHDKSYGVKDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)/p-1.
What are the key properties of 8-hydroxyquinoline-5-sulfonate?
8-hydroxyquinoline-5-sulfonate has a molecular weight of 224.22 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyquinoline-5-sulfonate is sourced from PubChem (CID 5260546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).