4-hydroxynaphthalene-2-sulfonate

C10H7O4S- — CID 3010344

IUPAC4-hydroxynaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1cc(O)c2ccccc2c1
InChIInChI=1S/C10H8O4S/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10/h1-6,11H,(H,12,13,14)/p-1
InChIKeyHKWPUUYEGGDLJF-UHFFFAOYSA-M
MW223.23 g/mol
LogP1.45
Rot. Bonds1

About 4-hydroxynaphthalene-2-sulfonate

4-hydroxynaphthalene-2-sulfonate (PubChem CID 3010344) has the molecular formula C10H7O4S- and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-hydroxynaphthalene-2-sulfonate.

Molecular Properties

Compound Name4-hydroxynaphthalene-2-sulfonate
PubChem CID3010344
Molecular FormulaC10H7O4S-
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name4-hydroxynaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1cc(O)c2ccccc2c1
InChIInChI=1S/C10H8O4S/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10/h1-6,11H,(H,12,13,14)/p-1
InChIKeyHKWPUUYEGGDLJF-UHFFFAOYSA-M
XLogP1.45
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-hydroxynaphthalene-2-sulfonate?
The IUPAC name of 4-hydroxynaphthalene-2-sulfonate (CID 3010344) is 4-hydroxynaphthalene-2-sulfonate.
What is the SMILES notation for 4-hydroxynaphthalene-2-sulfonate?
The canonical SMILES for 4-hydroxynaphthalene-2-sulfonate is O=S(=O)([O-])c1cc(O)c2ccccc2c1.
What is the InChIKey of 4-hydroxynaphthalene-2-sulfonate?
The InChIKey is HKWPUUYEGGDLJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O4S/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10/h1-6,11H,(H,12,13,14)/p-1.
What are the key properties of 4-hydroxynaphthalene-2-sulfonate?
4-hydroxynaphthalene-2-sulfonate has a molecular weight of 223.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxynaphthalene-2-sulfonate is sourced from PubChem (CID 3010344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).