7-aminonaphthalene-1,3-disulfonic acid

C10H9NO6S2 — CID 6851

IUPAC7-aminonaphthalene-1,3-disulfonic acid
SMILESNc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H9NO6S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKeyCMOLPZZVECHXKN-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.92
Rot. Bonds2

About 7-aminonaphthalene-1,3-disulfonic acid

7-aminonaphthalene-1,3-disulfonic acid (PubChem CID 6851) has the molecular formula C10H9NO6S2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 7-aminonaphthalene-1,3-disulfonic acid.

Molecular Properties

Compound Name7-aminonaphthalene-1,3-disulfonic acid
PubChem CID6851
Molecular FormulaC10H9NO6S2
Molecular Weight303.32 g/mol
Exact Mass302.99
IUPAC Name7-aminonaphthalene-1,3-disulfonic acid
SMILESNc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H9NO6S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKeyCMOLPZZVECHXKN-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'}

Analyze 7-aminonaphthalene-1,3-disulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-1-naphthalenesulfonic acid
CID 6670
6-Amino-2-naphthalenesulfonic acid
CID 7116
Laurent acid
CID 6793
1,6-Cleve's acid
CID 8408
4-Amino-1-naphthalenesulfonic acid
CID 6790
2-Amino-1,5-naphthalenedisulfonic acid
CID 8338
6-Amino-1,3-naphthalenedisulfonic acid
CID 8356
Cleve's acid
CID 8386
3-Amino-1,5-naphthalenedisulfonic acid
CID 8563
Peri acid
CID 6722
1,5-Naphthalenedisulfonic acid, 4-amino-
CID 8336
8-Aminonaphthalene-1,3,6-trisulfonic acid
CID 64951

Frequently Asked Questions

What is the IUPAC name of 7-aminonaphthalene-1,3-disulfonic acid?
The IUPAC name of 7-aminonaphthalene-1,3-disulfonic acid (CID 6851) is 7-aminonaphthalene-1,3-disulfonic acid.
What is the SMILES notation for 7-aminonaphthalene-1,3-disulfonic acid?
The canonical SMILES for 7-aminonaphthalene-1,3-disulfonic acid is Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.
What is the InChIKey of 7-aminonaphthalene-1,3-disulfonic acid?
The InChIKey is CMOLPZZVECHXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17).
What are the key properties of 7-aminonaphthalene-1,3-disulfonic acid?
7-aminonaphthalene-1,3-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 7-aminonaphthalene-1,3-disulfonic acid is sourced from PubChem (CID 6851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).