sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate

C10H6N2NaO4S+ — CID 73169085

IUPACsodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate
SMILESN=[N+]=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O.[Na+]
InChIInChI=1S/C10H6N2O4S.Na/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16;/h1-5,11H;/q;+1
InChIKeyOJNFSIAGQXVQBQ-UHFFFAOYSA-N
MW273.23 g/mol
LogP-2.52
Rot. Bonds1

About sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate

sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate (PubChem CID 73169085) has the molecular formula C10H6N2NaO4S+ and a molecular weight of 273.23 g/mol. Its IUPAC name is sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate
PubChem CID73169085
Molecular FormulaC10H6N2NaO4S+
Molecular Weight273.23 g/mol
Exact Mass272.99
IUPAC Namesodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate
SMILESN=[N+]=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O.[Na+]
InChIInChI=1S/C10H6N2O4S.Na/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16;/h1-5,11H;/q;+1
InChIKeyOJNFSIAGQXVQBQ-UHFFFAOYSA-N
XLogP-2.52
TPSA112.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 5-2.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate?
The IUPAC name of sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate (CID 73169085) is sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate.
What is the SMILES notation for sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate?
The canonical SMILES for sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate is N=[N+]=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O.[Na+].
What is the InChIKey of sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate?
The InChIKey is OJNFSIAGQXVQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4S.Na/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16;/h1-5,11H;/q;+1.
What are the key properties of sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate?
sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate has a molecular weight of 273.23 g/mol, XLogP of -2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-iminoazaniumylidene-5-oxonaphthalene-1-sulfonate is sourced from PubChem (CID 73169085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).