sodium 7-amino-4-hydroxynaphthalene-2-sulfonate

C10H8NNaO4S — CID 23662816

IUPACsodium 7-amino-4-hydroxynaphthalene-2-sulfonate
SMILESNc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1.[Na+]
InChIInChI=1S/C10H9NO4S.Na/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1
InChIKeyFNLGVABBDVJJOP-UHFFFAOYSA-M
MW261.23 g/mol
LogP-1.96
Rot. Bonds1

About sodium 7-amino-4-hydroxynaphthalene-2-sulfonate

sodium 7-amino-4-hydroxynaphthalene-2-sulfonate (PubChem CID 23662816) has the molecular formula C10H8NNaO4S and a molecular weight of 261.23 g/mol. Its IUPAC name is sodium 7-amino-4-hydroxynaphthalene-2-sulfonate.

Molecular Properties

Compound Namesodium 7-amino-4-hydroxynaphthalene-2-sulfonate
PubChem CID23662816
Molecular FormulaC10H8NNaO4S
Molecular Weight261.23 g/mol
Exact Mass261.01
IUPAC Namesodium 7-amino-4-hydroxynaphthalene-2-sulfonate
SMILESNc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1.[Na+]
InChIInChI=1S/C10H9NO4S.Na/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1
InChIKeyFNLGVABBDVJJOP-UHFFFAOYSA-M
XLogP-1.96
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of sodium 7-amino-4-hydroxynaphthalene-2-sulfonate?
The IUPAC name of sodium 7-amino-4-hydroxynaphthalene-2-sulfonate (CID 23662816) is sodium 7-amino-4-hydroxynaphthalene-2-sulfonate.
What is the SMILES notation for sodium 7-amino-4-hydroxynaphthalene-2-sulfonate?
The canonical SMILES for sodium 7-amino-4-hydroxynaphthalene-2-sulfonate is Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1.[Na+].
What is the InChIKey of sodium 7-amino-4-hydroxynaphthalene-2-sulfonate?
The InChIKey is FNLGVABBDVJJOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO4S.Na/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1.
What are the key properties of sodium 7-amino-4-hydroxynaphthalene-2-sulfonate?
sodium 7-amino-4-hydroxynaphthalene-2-sulfonate has a molecular weight of 261.23 g/mol, XLogP of -1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 7-amino-4-hydroxynaphthalene-2-sulfonate is sourced from PubChem (CID 23662816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).