3,4-diaminonaphthalene-1,2-disulfonic acid

C10H10N2O6S2 — CID 3017322

IUPAC3,4-diaminonaphthalene-1,2-disulfonic acid
SMILESNc1c(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc2c1N
InChIInChI=1S/C10H10N2O6S2/c11-7-5-3-1-2-4-6(5)9(19(13,14)15)10(8(7)12)20(16,17)18/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)
InChIKeyOBGIGBWVEDBZQI-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.50
Rot. Bonds2

About 3,4-diaminonaphthalene-1,2-disulfonic acid

3,4-diaminonaphthalene-1,2-disulfonic acid (PubChem CID 3017322) has the molecular formula C10H10N2O6S2 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3,4-diaminonaphthalene-1,2-disulfonic acid.

Molecular Properties

Compound Name3,4-diaminonaphthalene-1,2-disulfonic acid
PubChem CID3017322
Molecular FormulaC10H10N2O6S2
Molecular Weight318.33 g/mol
Exact Mass318.00
IUPAC Name3,4-diaminonaphthalene-1,2-disulfonic acid
SMILESNc1c(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc2c1N
InChIInChI=1S/C10H10N2O6S2/c11-7-5-3-1-2-4-6(5)9(19(13,14)15)10(8(7)12)20(16,17)18/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)
InChIKeyOBGIGBWVEDBZQI-UHFFFAOYSA-N
XLogP0.50
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3,4-diaminonaphthalene-1,2-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

4-amino-3-decylnaphthalene-1,2-disulfonic acid
CID 163283825
pyrene-4,5,9,10-tetrasulfonic acid
CID 164519440
2,4-diamino-3-[[4-[4-[(1,3-diamino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 160978939
3,4-dinitronaphthalene-1,2-disulfonic acid
CID 21395915
CID 126569140
CID 126569140
2-amino-5-iodonaphthalene-1-sulfonic acid
CID 163854442
3-amino-1,4,5-trihydroxynaphthalene-2-sulfonic acid
CID 175412507
3-amino-4-benzoyl-1-hydroxynaphthalene-2-sulfonic acid
CID 88705852
2-amino-5-ethylnaphthalene-1-sulfonic acid
CID 18729050
2-methyl-1H-indole-3-sulfonic acid
CID 54301014
16-methyltetracyclo[11.2.1.06,15.08,14]hexadeca-1(16),2,4,6,8,10,12,14-octaene-7-sulfonic acid
CID 15277895
4-aminonaphthalene-1-sulfonic acid
CID 6790

Frequently Asked Questions

What is the IUPAC name of 3,4-diaminonaphthalene-1,2-disulfonic acid?
The IUPAC name of 3,4-diaminonaphthalene-1,2-disulfonic acid (CID 3017322) is 3,4-diaminonaphthalene-1,2-disulfonic acid.
What is the SMILES notation for 3,4-diaminonaphthalene-1,2-disulfonic acid?
The canonical SMILES for 3,4-diaminonaphthalene-1,2-disulfonic acid is Nc1c(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc2c1N.
What is the InChIKey of 3,4-diaminonaphthalene-1,2-disulfonic acid?
The InChIKey is OBGIGBWVEDBZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6S2/c11-7-5-3-1-2-4-6(5)9(19(13,14)15)10(8(7)12)20(16,17)18/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18).
What are the key properties of 3,4-diaminonaphthalene-1,2-disulfonic acid?
3,4-diaminonaphthalene-1,2-disulfonic acid has a molecular weight of 318.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminonaphthalene-1,2-disulfonic acid is sourced from PubChem (CID 3017322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).