sodium N-oxidobenzamide

C7H6NNaO2 — CID 23684627

IUPACsodium N-oxidobenzamide
SMILESO=C(N[O-])c1ccccc1.[Na+]
InChIInChI=1S/C7H6NO2.Na/c9-7(8-10)6-4-2-1-3-5-6;/h1-5H,(H-,8,9,10);/q-1;+1
InChIKeyFYZUCVSCZVWCBR-UHFFFAOYSA-N
MW159.12 g/mol
LogP-2.08
Rot. Bonds1

About sodium N-oxidobenzamide

sodium N-oxidobenzamide (PubChem CID 23684627) has the molecular formula C7H6NNaO2 and a molecular weight of 159.12 g/mol. Its IUPAC name is sodium N-oxidobenzamide.

Molecular Properties

Compound Namesodium N-oxidobenzamide
PubChem CID23684627
Molecular FormulaC7H6NNaO2
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Namesodium N-oxidobenzamide
SMILESO=C(N[O-])c1ccccc1.[Na+]
InChIInChI=1S/C7H6NO2.Na/c9-7(8-10)6-4-2-1-3-5-6;/h1-5H,(H-,8,9,10);/q-1;+1
InChIKeyFYZUCVSCZVWCBR-UHFFFAOYSA-N
XLogP-2.08
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-2.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-oxidobenzamide?
The IUPAC name of sodium N-oxidobenzamide (CID 23684627) is sodium N-oxidobenzamide.
What is the SMILES notation for sodium N-oxidobenzamide?
The canonical SMILES for sodium N-oxidobenzamide is O=C(N[O-])c1ccccc1.[Na+].
What is the InChIKey of sodium N-oxidobenzamide?
The InChIKey is FYZUCVSCZVWCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO2.Na/c9-7(8-10)6-4-2-1-3-5-6;/h1-5H,(H-,8,9,10);/q-1;+1.
What are the key properties of sodium N-oxidobenzamide?
sodium N-oxidobenzamide has a molecular weight of 159.12 g/mol, XLogP of -2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-oxidobenzamide is sourced from PubChem (CID 23684627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).