2-aminonaphthalene-1,5-disulfonic acid

C10H9NO6S2 — CID 8338

IUPAC2-aminonaphthalene-1,5-disulfonic acid
SMILESNc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O
InChIInChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKeyYAIKCRUPEVOINQ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.92
Rot. Bonds2

About 2-aminonaphthalene-1,5-disulfonic acid

2-aminonaphthalene-1,5-disulfonic acid (PubChem CID 8338) has the molecular formula C10H9NO6S2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-aminonaphthalene-1,5-disulfonic acid.

Molecular Properties

Compound Name2-aminonaphthalene-1,5-disulfonic acid
PubChem CID8338
Molecular FormulaC10H9NO6S2
Molecular Weight303.32 g/mol
Exact Mass302.99
IUPAC Name2-aminonaphthalene-1,5-disulfonic acid
SMILESNc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O
InChIInChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKeyYAIKCRUPEVOINQ-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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Related Compounds

2-Amino-1-naphthalenesulfonic acid
CID 6670
Laurent acid
CID 6793
1,6-Cleve's acid
CID 8408
4-Amino-1-naphthalenesulfonic acid
CID 6790
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
8-Aminonaphthalene-1,3,6-trisulfonic acid
CID 64951
Peri acid
CID 6722
1,5-Naphthalenedisulfonic acid, 4-amino-
CID 8336

Frequently Asked Questions

What is the IUPAC name of 2-aminonaphthalene-1,5-disulfonic acid?
The IUPAC name of 2-aminonaphthalene-1,5-disulfonic acid (CID 8338) is 2-aminonaphthalene-1,5-disulfonic acid.
What is the SMILES notation for 2-aminonaphthalene-1,5-disulfonic acid?
The canonical SMILES for 2-aminonaphthalene-1,5-disulfonic acid is Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O.
What is the InChIKey of 2-aminonaphthalene-1,5-disulfonic acid?
The InChIKey is YAIKCRUPEVOINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17).
What are the key properties of 2-aminonaphthalene-1,5-disulfonic acid?
2-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 2-aminonaphthalene-1,5-disulfonic acid is sourced from PubChem (CID 8338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).