8-anilinonaphthalene-1-sulfonic acid

C16H13NO3S — CID 1369

IUPAC8-anilinonaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12
InChIInChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
InChIKeyFWEOQOXTVHGIFQ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.83
Rot. Bonds3

About 8-anilinonaphthalene-1-sulfonic acid

8-anilinonaphthalene-1-sulfonic acid (PubChem CID 1369) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 8-anilinonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name8-anilinonaphthalene-1-sulfonic acid
PubChem CID1369
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name8-anilinonaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12
InChIInChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
InChIKeyFWEOQOXTVHGIFQ-UHFFFAOYSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.83
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 8-anilinonaphthalene-1-sulfonic acid?
The IUPAC name of 8-anilinonaphthalene-1-sulfonic acid (CID 1369) is 8-anilinonaphthalene-1-sulfonic acid.
What is the SMILES notation for 8-anilinonaphthalene-1-sulfonic acid?
The canonical SMILES for 8-anilinonaphthalene-1-sulfonic acid is O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12.
What is the InChIKey of 8-anilinonaphthalene-1-sulfonic acid?
The InChIKey is FWEOQOXTVHGIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20).
What are the key properties of 8-anilinonaphthalene-1-sulfonic acid?
8-anilinonaphthalene-1-sulfonic acid has a molecular weight of 299.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilinonaphthalene-1-sulfonic acid is sourced from PubChem (CID 1369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).