sulfamoyl azide

H2N4O2S — CID 11126239

IUPACsulfamoyl azide
SMILES[N-]=[N+]=NS(N)(=O)=O
InChIInChI=1S/H2N4O2S/c1-3-4-7(2,5)6/h(H2,2,5,6)
InChIKeyGSQKBCGGOJOGAO-UHFFFAOYSA-N
MW122.11 g/mol
LogP-0.50
Rot. Bonds1

About sulfamoyl azide

sulfamoyl azide (PubChem CID 11126239) has the molecular formula H2N4O2S and a molecular weight of 122.11 g/mol. Its IUPAC name is sulfamoyl azide.

Molecular Properties

Compound Namesulfamoyl azide
PubChem CID11126239
Molecular FormulaH2N4O2S
Molecular Weight122.11 g/mol
Exact Mass121.99
IUPAC Namesulfamoyl azide
SMILES[N-]=[N+]=NS(N)(=O)=O
InChIInChI=1S/H2N4O2S/c1-3-4-7(2,5)6/h(H2,2,5,6)
InChIKeyGSQKBCGGOJOGAO-UHFFFAOYSA-N
XLogP-0.50
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfamoyl azide?
The IUPAC name of sulfamoyl azide (CID 11126239) is sulfamoyl azide.
What is the SMILES notation for sulfamoyl azide?
The canonical SMILES for sulfamoyl azide is [N-]=[N+]=NS(N)(=O)=O.
What is the InChIKey of sulfamoyl azide?
The InChIKey is GSQKBCGGOJOGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N4O2S/c1-3-4-7(2,5)6/h(H2,2,5,6).
What are the key properties of sulfamoyl azide?
sulfamoyl azide has a molecular weight of 122.11 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoyl azide is sourced from PubChem (CID 11126239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).