2-amino-6-methylnaphthalene-1-sulfonic acid

C11H11NO3S — CID 18729054

IUPAC2-amino-6-methylnaphthalene-1-sulfonic acid
SMILESCc1ccc2c(S(=O)(=O)O)c(N)ccc2c1
InChIInChI=1S/C11H11NO3S/c1-7-2-4-9-8(6-7)3-5-10(12)11(9)16(13,14)15/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyARNZQUIKCVBDJJ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.98
Rot. Bonds1

About 2-amino-6-methylnaphthalene-1-sulfonic acid

2-amino-6-methylnaphthalene-1-sulfonic acid (PubChem CID 18729054) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-amino-6-methylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2-amino-6-methylnaphthalene-1-sulfonic acid
PubChem CID18729054
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name2-amino-6-methylnaphthalene-1-sulfonic acid
SMILESCc1ccc2c(S(=O)(=O)O)c(N)ccc2c1
InChIInChI=1S/C11H11NO3S/c1-7-2-4-9-8(6-7)3-5-10(12)11(9)16(13,14)15/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyARNZQUIKCVBDJJ-UHFFFAOYSA-N
XLogP1.98
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.98
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 2-amino-6-methylnaphthalene-1-sulfonic acid?
The IUPAC name of 2-amino-6-methylnaphthalene-1-sulfonic acid (CID 18729054) is 2-amino-6-methylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 2-amino-6-methylnaphthalene-1-sulfonic acid?
The canonical SMILES for 2-amino-6-methylnaphthalene-1-sulfonic acid is Cc1ccc2c(S(=O)(=O)O)c(N)ccc2c1.
What is the InChIKey of 2-amino-6-methylnaphthalene-1-sulfonic acid?
The InChIKey is ARNZQUIKCVBDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-7-2-4-9-8(6-7)3-5-10(12)11(9)16(13,14)15/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of 2-amino-6-methylnaphthalene-1-sulfonic acid?
2-amino-6-methylnaphthalene-1-sulfonic acid has a molecular weight of 237.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 18729054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).