sodium 6-diazo-5-oxonaphthalene-1-sulfonate

C10H5N2NaO4S — CID 13442548

IUPACsodium 6-diazo-5-oxonaphthalene-1-sulfonate
SMILES[N-]=[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;/h1-5H,(H,14,15,16);/q;+1/p-1
InChIKeyVJAMVDVXDKBSMX-UHFFFAOYSA-M
MW272.22 g/mol
LogP-2.53
Rot. Bonds1

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

sodium 6-diazo-5-oxonaphthalene-1-sulfonate (PubChem CID 13442548) has the molecular formula C10H5N2NaO4S and a molecular weight of 272.22 g/mol. Its IUPAC name is sodium 6-diazo-5-oxonaphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium 6-diazo-5-oxonaphthalene-1-sulfonate
PubChem CID13442548
Molecular FormulaC10H5N2NaO4S
Molecular Weight272.22 g/mol
Exact Mass271.99
IUPAC Namesodium 6-diazo-5-oxonaphthalene-1-sulfonate
SMILES[N-]=[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;/h1-5H,(H,14,15,16);/q;+1/p-1
InChIKeyVJAMVDVXDKBSMX-UHFFFAOYSA-M
XLogP-2.53
TPSA110.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-2.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-diazo-5-oxonaphthalene-1-sulfonate?
The IUPAC name of sodium 6-diazo-5-oxonaphthalene-1-sulfonate (CID 13442548) is sodium 6-diazo-5-oxonaphthalene-1-sulfonate.
What is the SMILES notation for sodium 6-diazo-5-oxonaphthalene-1-sulfonate?
The canonical SMILES for sodium 6-diazo-5-oxonaphthalene-1-sulfonate is [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O.[Na+].
What is the InChIKey of sodium 6-diazo-5-oxonaphthalene-1-sulfonate?
The InChIKey is VJAMVDVXDKBSMX-UHFFFAOYSA-M. 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;/h1-5H,(H,14,15,16);/q;+1/p-1.
What are the key properties of sodium 6-diazo-5-oxonaphthalene-1-sulfonate?
sodium 6-diazo-5-oxonaphthalene-1-sulfonate has a molecular weight of 272.22 g/mol, XLogP of -2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-diazo-5-oxonaphthalene-1-sulfonate is sourced from PubChem (CID 13442548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).