2-hydroxynaphthalene-1-sulfonic acid

C10H8O4S — CID 11278

IUPAC2-hydroxynaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1c(O)ccc2ccccc12
InChIInChI=1S/C10H8O4S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6,11H,(H,12,13,14)
InChIKeySGBQUMZTGSQNAO-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.79
Rot. Bonds1

About 2-hydroxynaphthalene-1-sulfonic acid

2-hydroxynaphthalene-1-sulfonic acid (PubChem CID 11278) has the molecular formula C10H8O4S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-hydroxynaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxynaphthalene-1-sulfonic acid
PubChem CID11278
Molecular FormulaC10H8O4S
Molecular Weight224.24 g/mol
Exact Mass224.01
IUPAC Name2-hydroxynaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1c(O)ccc2ccccc12
InChIInChI=1S/C10H8O4S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6,11H,(H,12,13,14)
InChIKeySGBQUMZTGSQNAO-UHFFFAOYSA-N
XLogP1.79
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxynaphthalene-1-sulfonic acid?
The IUPAC name of 2-hydroxynaphthalene-1-sulfonic acid (CID 11278) is 2-hydroxynaphthalene-1-sulfonic acid.
What is the SMILES notation for 2-hydroxynaphthalene-1-sulfonic acid?
The canonical SMILES for 2-hydroxynaphthalene-1-sulfonic acid is O=S(=O)(O)c1c(O)ccc2ccccc12.
What is the InChIKey of 2-hydroxynaphthalene-1-sulfonic acid?
The InChIKey is SGBQUMZTGSQNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6,11H,(H,12,13,14).
What are the key properties of 2-hydroxynaphthalene-1-sulfonic acid?
2-hydroxynaphthalene-1-sulfonic acid has a molecular weight of 224.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 11278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).