5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid

C10H10N2O4S — CID 86234936

IUPAC5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid
SMILESNc1ccc(N)c2c(S(=O)(=O)O)ccc(O)c12
InChIInChI=1S/C10H10N2O4S/c11-5-1-2-6(12)10-8(17(14,15)16)4-3-7(13)9(5)10/h1-4,13H,11-12H2,(H,14,15,16)
InChIKeyHWPQNHXHKVNGQK-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.96
Rot. Bonds1

About 5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid

5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid (PubChem CID 86234936) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid
PubChem CID86234936
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid
SMILESNc1ccc(N)c2c(S(=O)(=O)O)ccc(O)c12
InChIInChI=1S/C10H10N2O4S/c11-5-1-2-6(12)10-8(17(14,15)16)4-3-7(13)9(5)10/h1-4,13H,11-12H2,(H,14,15,16)
InChIKeyHWPQNHXHKVNGQK-UHFFFAOYSA-N
XLogP0.96
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.96
H-Bond Donors ≤ 54
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

sodium 4-aminonaphthalene-1,5-disulfonic acid
CID 126465863
4-amino-5-chloronaphthalene-1-sulfonic acid
CID 130155184
7-amino-2,3-dihydro-1H-indene-4-sulfonic acid
CID 12683823
sodium 4-amino-5-hydroxynaphthalene-1-sulfonate
CID 165020486
4-amino-3-fluorobenzene-1,2-disulfonic acid
CID 57273977
4-amino-3-methylbenzene-1,2-disulfonic acid
CID 57282558
4-aminonaphthalene-1-sulfonic acid
CID 6790
trisodium;8-aminonaphthalene-1,3,5-trisulfonic acid;hydride
CID 173300680
7,8-diaminonaphthalene-1-sulfonic acid
CID 82254374
perylene-3,4,9,10-tetrasulfonic acid
CID 101082081
2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
4-hydroxy-2,3-dimethylbenzenesulfonic acid
CID 3020229

Frequently Asked Questions

What is the IUPAC name of 5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid?
The IUPAC name of 5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid (CID 86234936) is 5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid.
What is the SMILES notation for 5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid?
The canonical SMILES for 5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid is Nc1ccc(N)c2c(S(=O)(=O)O)ccc(O)c12.
What is the InChIKey of 5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid?
The InChIKey is HWPQNHXHKVNGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c11-5-1-2-6(12)10-8(17(14,15)16)4-3-7(13)9(5)10/h1-4,13H,11-12H2,(H,14,15,16).
What are the key properties of 5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid?
5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid has a molecular weight of 254.27 g/mol, XLogP of 0.96, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 86234936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).