3,6-diaminonaphthalene-2-sulfonic acid

C10H10N2O3S — CID 87527347

IUPAC3,6-diaminonaphthalene-2-sulfonic acid
SMILESNc1ccc2cc(S(=O)(=O)O)c(N)cc2c1
InChIInChI=1S/C10H10N2O3S/c11-8-2-1-6-5-10(16(13,14)15)9(12)4-7(6)3-8/h1-5H,11-12H2,(H,13,14,15)
InChIKeyWRMMPXFSRTYEIT-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.25
Rot. Bonds1

About 3,6-diaminonaphthalene-2-sulfonic acid

3,6-diaminonaphthalene-2-sulfonic acid (PubChem CID 87527347) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3,6-diaminonaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name3,6-diaminonaphthalene-2-sulfonic acid
PubChem CID87527347
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name3,6-diaminonaphthalene-2-sulfonic acid
SMILESNc1ccc2cc(S(=O)(=O)O)c(N)cc2c1
InChIInChI=1S/C10H10N2O3S/c11-8-2-1-6-5-10(16(13,14)15)9(12)4-7(6)3-8/h1-5H,11-12H2,(H,13,14,15)
InChIKeyWRMMPXFSRTYEIT-UHFFFAOYSA-N
XLogP1.25
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-diaminonaphthalene-2-sulfonic 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

3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid
CID 162118407
sodium;6-amino-7-sulfonaphthalene-2-sulfonate;trihydrate
CID 45047073
3,7-diaminonaphthalene-1-sulfonic acid
CID 18431403
CID 87753732
CID 87753732
2-amino-5-(4-aminophenoxy)benzene-1,4-disulfonic acid
CID 172553417
2-aminonaphthalene-1,5-disulfonic acid;3-aminonaphthalene-2,7-disulfonic acid
CID 19890199
naphthalene-2,3,6-trisulfonic acid
CID 42609669
7-aminonaphthalene-1,3-disulfonic acid;tetrahydrate
CID 76962518
4-amino-2-sulfanylbenzenesulfonic acid
CID 23287472
6-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 165341644
2-amino-5-[(4-amino-2-methylphenyl)diazenyl]benzene-1,4-disulfonic acid
CID 154220394
2,5-diaminobenzenesulfonic acid;2,5-diaminobenzoic acid;ethane
CID 144898588

Frequently Asked Questions

What is the IUPAC name of 3,6-diaminonaphthalene-2-sulfonic acid?
The IUPAC name of 3,6-diaminonaphthalene-2-sulfonic acid (CID 87527347) is 3,6-diaminonaphthalene-2-sulfonic acid.
What is the SMILES notation for 3,6-diaminonaphthalene-2-sulfonic acid?
The canonical SMILES for 3,6-diaminonaphthalene-2-sulfonic acid is Nc1ccc2cc(S(=O)(=O)O)c(N)cc2c1.
What is the InChIKey of 3,6-diaminonaphthalene-2-sulfonic acid?
The InChIKey is WRMMPXFSRTYEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c11-8-2-1-6-5-10(16(13,14)15)9(12)4-7(6)3-8/h1-5H,11-12H2,(H,13,14,15).
What are the key properties of 3,6-diaminonaphthalene-2-sulfonic acid?
3,6-diaminonaphthalene-2-sulfonic acid has a molecular weight of 238.27 g/mol, XLogP of 1.25, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diaminonaphthalene-2-sulfonic acid is sourced from PubChem (CID 87527347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).