3-aminonaphthalene-1,5-disulfonic acid

C10H9NO6S2 — CID 8563

IUPAC3-aminonaphthalene-1,5-disulfonic acid
SMILESNc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKeyMTJGVAJYTOXFJH-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.92
Rot. Bonds2

About 3-aminonaphthalene-1,5-disulfonic acid

3-aminonaphthalene-1,5-disulfonic acid (PubChem CID 8563) has the molecular formula C10H9NO6S2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-aminonaphthalene-1,5-disulfonic acid.

Molecular Properties

Compound Name3-aminonaphthalene-1,5-disulfonic acid
PubChem CID8563
Molecular FormulaC10H9NO6S2
Molecular Weight303.32 g/mol
Exact Mass302.99
IUPAC Name3-aminonaphthalene-1,5-disulfonic acid
SMILESNc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKeyMTJGVAJYTOXFJH-UHFFFAOYSA-N
XLogP0.92
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-aminonaphthalene-1,5-disulfonic acid?
The IUPAC name of 3-aminonaphthalene-1,5-disulfonic acid (CID 8563) is 3-aminonaphthalene-1,5-disulfonic acid.
What is the SMILES notation for 3-aminonaphthalene-1,5-disulfonic acid?
The canonical SMILES for 3-aminonaphthalene-1,5-disulfonic acid is Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1.
What is the InChIKey of 3-aminonaphthalene-1,5-disulfonic acid?
The InChIKey is MTJGVAJYTOXFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17).
What are the key properties of 3-aminonaphthalene-1,5-disulfonic acid?
3-aminonaphthalene-1,5-disulfonic acid has a molecular weight of 303.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminonaphthalene-1,5-disulfonic acid is sourced from PubChem (CID 8563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).