5-aminonaphthalene-1-sulfonic acid

C10H9NO3S — CID 6793

IUPAC5-aminonaphthalene-1-sulfonic acid
SMILESNc1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
InChIKeyDQNAQOYOSRJXFZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.67
Rot. Bonds1

About 5-aminonaphthalene-1-sulfonic acid

5-aminonaphthalene-1-sulfonic acid (PubChem CID 6793) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-aminonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name5-aminonaphthalene-1-sulfonic acid
PubChem CID6793
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name5-aminonaphthalene-1-sulfonic acid
SMILESNc1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
InChIKeyDQNAQOYOSRJXFZ-UHFFFAOYSA-N
XLogP1.67
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-aminonaphthalene-1-sulfonic acid?
The IUPAC name of 5-aminonaphthalene-1-sulfonic acid (CID 6793) is 5-aminonaphthalene-1-sulfonic acid.
What is the SMILES notation for 5-aminonaphthalene-1-sulfonic acid?
The canonical SMILES for 5-aminonaphthalene-1-sulfonic acid is Nc1cccc2c(S(=O)(=O)O)cccc12.
What is the InChIKey of 5-aminonaphthalene-1-sulfonic acid?
The InChIKey is DQNAQOYOSRJXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14).
What are the key properties of 5-aminonaphthalene-1-sulfonic acid?
5-aminonaphthalene-1-sulfonic acid has a molecular weight of 223.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminonaphthalene-1-sulfonic acid is sourced from PubChem (CID 6793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).