2-aminonaphthalene-1-sulfonic acid

C10H9NO3S — CID 6670

IUPAC2-aminonaphthalene-1-sulfonic acid
SMILESNc1ccc2ccccc2c1S(=O)(=O)O
InChIInChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)
InChIKeyGWIAAIUASRVOIA-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.67
Rot. Bonds1

About 2-aminonaphthalene-1-sulfonic acid

2-aminonaphthalene-1-sulfonic acid (PubChem CID 6670) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-aminonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2-aminonaphthalene-1-sulfonic acid
PubChem CID6670
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-aminonaphthalene-1-sulfonic acid
SMILESNc1ccc2ccccc2c1S(=O)(=O)O
InChIInChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)
InChIKeyGWIAAIUASRVOIA-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'}

Analyze 2-aminonaphthalene-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Laurent acid
CID 6793
1,6-Cleve's acid
CID 8408
4-Amino-1-naphthalenesulfonic acid
CID 6790
2-Amino-1,5-naphthalenedisulfonic acid
CID 8338
6-Amino-2-naphthalenesulfonic acid
CID 7116
7-Amino-1,3-naphthalenedisulfonic acid
CID 6851
6-Amino-1,3-naphthalenedisulfonic acid
CID 8356
Cleve's acid
CID 8386
3-Amino-1,5-naphthalenedisulfonic acid
CID 8563
Peri acid
CID 6722
1,5-Naphthalenedisulfonic acid, 4-amino-
CID 8336
2,7-Naphthalenedisulfonic acid, 3-amino-
CID 66703

Frequently Asked Questions

What is the IUPAC name of 2-aminonaphthalene-1-sulfonic acid?
The IUPAC name of 2-aminonaphthalene-1-sulfonic acid (CID 6670) is 2-aminonaphthalene-1-sulfonic acid.
What is the SMILES notation for 2-aminonaphthalene-1-sulfonic acid?
The canonical SMILES for 2-aminonaphthalene-1-sulfonic acid is Nc1ccc2ccccc2c1S(=O)(=O)O.
What is the InChIKey of 2-aminonaphthalene-1-sulfonic acid?
The InChIKey is GWIAAIUASRVOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14).
What are the key properties of 2-aminonaphthalene-1-sulfonic acid?
2-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 2-aminonaphthalene-1-sulfonic acid is sourced from PubChem (CID 6670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).