8-hydroxyquinoline-5-sulfonic acid

C9H7NO4S — CID 6792

IUPAC8-hydroxyquinoline-5-sulfonic acid
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)
InChIKeyLGDFHDKSYGVKDC-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.19
Rot. Bonds1

About 8-hydroxyquinoline-5-sulfonic acid

8-hydroxyquinoline-5-sulfonic acid (PubChem CID 6792) has the molecular formula C9H7NO4S and a molecular weight of 225.23 g/mol. Its IUPAC name is 8-hydroxyquinoline-5-sulfonic acid.

Molecular Properties

Compound Name8-hydroxyquinoline-5-sulfonic acid
PubChem CID6792
Molecular FormulaC9H7NO4S
Molecular Weight225.23 g/mol
Exact Mass225.01
IUPAC Name8-hydroxyquinoline-5-sulfonic acid
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)
InChIKeyLGDFHDKSYGVKDC-UHFFFAOYSA-N
XLogP1.19
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 3728
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CID 517000
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CID 11043
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CID 14312
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CID 23674
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CID 217907
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CID 92577
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CID 2723649
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CID 98565
CID 98565
CID 177338
CID 177338
CID 11507008
CID 11507008

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyquinoline-5-sulfonic acid?
The IUPAC name of 8-hydroxyquinoline-5-sulfonic acid (CID 6792) is 8-hydroxyquinoline-5-sulfonic acid.
What is the SMILES notation for 8-hydroxyquinoline-5-sulfonic acid?
The canonical SMILES for 8-hydroxyquinoline-5-sulfonic acid is O=S(=O)(O)c1ccc(O)c2ncccc12.
What is the InChIKey of 8-hydroxyquinoline-5-sulfonic acid?
The InChIKey is LGDFHDKSYGVKDC-UHFFFAOYSA-N. 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).
What are the key properties of 8-hydroxyquinoline-5-sulfonic acid?
8-hydroxyquinoline-5-sulfonic acid has a molecular weight of 225.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyquinoline-5-sulfonic acid is sourced from PubChem (CID 6792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).