6-hydroxynaphthalene-2-sulfonic acid

C10H8O4S — CID 7117

IUPAC6-hydroxynaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C10H8O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6,11H,(H,12,13,14)
InChIKeyVVPHSMHEYVOVLH-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.79
Rot. Bonds1

About 6-hydroxynaphthalene-2-sulfonic acid

6-hydroxynaphthalene-2-sulfonic acid (PubChem CID 7117) has the molecular formula C10H8O4S and a molecular weight of 224.24 g/mol. Its IUPAC name is 6-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-hydroxynaphthalene-2-sulfonic acid
PubChem CID7117
Molecular FormulaC10H8O4S
Molecular Weight224.24 g/mol
Exact Mass224.01
IUPAC Name6-hydroxynaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C10H8O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6,11H,(H,12,13,14)
InChIKeyVVPHSMHEYVOVLH-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 6-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 6-hydroxynaphthalene-2-sulfonic acid (CID 7117) is 6-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 6-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 6-hydroxynaphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is VVPHSMHEYVOVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6,11H,(H,12,13,14).
What are the key properties of 6-hydroxynaphthalene-2-sulfonic acid?
6-hydroxynaphthalene-2-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 6-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 7117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).