sodium 8-aminonaphthalene-2-sulfonate

C10H8NNaO3S — CID 23666733

IUPACsodium 8-aminonaphthalene-2-sulfonate
SMILESNc1cccc2ccc(S(=O)(=O)[O-])cc12.[Na+]
InChIInChI=1S/C10H9NO3S.Na/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1
InChIKeyGJYIHWVYSDKING-UHFFFAOYSA-M
MW245.24 g/mol
LogP-1.67
Rot. Bonds1

About sodium 8-aminonaphthalene-2-sulfonate

sodium 8-aminonaphthalene-2-sulfonate (PubChem CID 23666733) has the molecular formula C10H8NNaO3S and a molecular weight of 245.24 g/mol. Its IUPAC name is sodium 8-aminonaphthalene-2-sulfonate.

Molecular Properties

Compound Namesodium 8-aminonaphthalene-2-sulfonate
PubChem CID23666733
Molecular FormulaC10H8NNaO3S
Molecular Weight245.24 g/mol
Exact Mass245.01
IUPAC Namesodium 8-aminonaphthalene-2-sulfonate
SMILESNc1cccc2ccc(S(=O)(=O)[O-])cc12.[Na+]
InChIInChI=1S/C10H9NO3S.Na/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1
InChIKeyGJYIHWVYSDKING-UHFFFAOYSA-M
XLogP-1.67
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 8-aminonaphthalene-2-sulfonate?
The IUPAC name of sodium 8-aminonaphthalene-2-sulfonate (CID 23666733) is sodium 8-aminonaphthalene-2-sulfonate.
What is the SMILES notation for sodium 8-aminonaphthalene-2-sulfonate?
The canonical SMILES for sodium 8-aminonaphthalene-2-sulfonate is Nc1cccc2ccc(S(=O)(=O)[O-])cc12.[Na+].
What is the InChIKey of sodium 8-aminonaphthalene-2-sulfonate?
The InChIKey is GJYIHWVYSDKING-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO3S.Na/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium 8-aminonaphthalene-2-sulfonate?
sodium 8-aminonaphthalene-2-sulfonate has a molecular weight of 245.24 g/mol, XLogP of -1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-aminonaphthalene-2-sulfonate is sourced from PubChem (CID 23666733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).