2-methylnaphthalene-1-sulfonic acid

C11H10O3S — CID 3016289

IUPAC2-methylnaphthalene-1-sulfonic acid
SMILESCc1ccc2ccccc2c1S(=O)(=O)O
InChIInChI=1S/C11H10O3S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3,(H,12,13,14)
InChIKeyWODGMMJHSAKKNF-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.39
Rot. Bonds1

About 2-methylnaphthalene-1-sulfonic acid

2-methylnaphthalene-1-sulfonic acid (PubChem CID 3016289) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-methylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2-methylnaphthalene-1-sulfonic acid
PubChem CID3016289
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name2-methylnaphthalene-1-sulfonic acid
SMILESCc1ccc2ccccc2c1S(=O)(=O)O
InChIInChI=1S/C11H10O3S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3,(H,12,13,14)
InChIKeyWODGMMJHSAKKNF-UHFFFAOYSA-N
XLogP2.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylnaphthalene-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

Frequently Asked Questions

What is the IUPAC name of 2-methylnaphthalene-1-sulfonic acid?
The IUPAC name of 2-methylnaphthalene-1-sulfonic acid (CID 3016289) is 2-methylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 2-methylnaphthalene-1-sulfonic acid?
The canonical SMILES for 2-methylnaphthalene-1-sulfonic acid is Cc1ccc2ccccc2c1S(=O)(=O)O.
What is the InChIKey of 2-methylnaphthalene-1-sulfonic acid?
The InChIKey is WODGMMJHSAKKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3,(H,12,13,14).
What are the key properties of 2-methylnaphthalene-1-sulfonic acid?
2-methylnaphthalene-1-sulfonic acid has a molecular weight of 222.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 3016289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).