potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate

C10H8KNO7S2 — CID 5338245

IUPACpotassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate
SMILESNc1c(S(=O)(=O)O)cc(S(=O)(=O)[O-])c2cccc(O)c12.[K+]
InChIInChI=1S/C10H9NO7S2.K/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1
InChIKeyLVXBUYIUMTZNLP-UHFFFAOYSA-M
MW357.41 g/mol
LogP-2.72
Rot. Bonds2

About potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate

potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate (PubChem CID 5338245) has the molecular formula C10H8KNO7S2 and a molecular weight of 357.41 g/mol. Its IUPAC name is potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate.

Molecular Properties

Compound Namepotassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate
PubChem CID5338245
Molecular FormulaC10H8KNO7S2
Molecular Weight357.41 g/mol
Exact Mass356.94
IUPAC Namepotassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate
SMILESNc1c(S(=O)(=O)O)cc(S(=O)(=O)[O-])c2cccc(O)c12.[K+]
InChIInChI=1S/C10H9NO7S2.K/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1
InChIKeyLVXBUYIUMTZNLP-UHFFFAOYSA-M
XLogP-2.72
TPSA157.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 5-2.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate?
The IUPAC name of potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate (CID 5338245) is potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate.
What is the SMILES notation for potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate?
The canonical SMILES for potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate is Nc1c(S(=O)(=O)O)cc(S(=O)(=O)[O-])c2cccc(O)c12.[K+].
What is the InChIKey of potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate?
The InChIKey is LVXBUYIUMTZNLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO7S2.K/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1.
What are the key properties of potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate?
potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate has a molecular weight of 357.41 g/mol, XLogP of -2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate is sourced from PubChem (CID 5338245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).