About azidosulfonyl N-diazosulfamate
azidosulfonyl N-diazosulfamate (PubChem CID 19868343) has the molecular formula N6O5S2
and a molecular weight of 228.17 g/mol. Its IUPAC name is azidosulfonyl N-diazosulfamate.
Molecular Properties
| Compound Name | azidosulfonyl N-diazosulfamate |
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| PubChem CID | 19868343 |
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| Molecular Formula | N6O5S2 |
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| Molecular Weight | 228.17 g/mol |
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| Exact Mass | 227.94 |
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| IUPAC Name | azidosulfonyl N-diazosulfamate |
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| SMILES | [N-]=[N+]=NS(=O)(=O)OS(=O)(=O)N=[N+]=[N-] |
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| InChI | InChI=1S/N6O5S2/c1-3-5-12(7,8)11-13(9,10)6-4-2 |
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| InChIKey | AYKJUUOPJZUSDL-UHFFFAOYSA-N |
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| XLogP | 0.11 |
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| TPSA | 175.03 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 228.17 |
| LogP ≤ 5 | 0.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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 azidosulfonyl N-diazosulfamate?
The IUPAC name of azidosulfonyl N-diazosulfamate (CID 19868343) is azidosulfonyl N-diazosulfamate.
What is the SMILES notation for azidosulfonyl N-diazosulfamate?
The canonical SMILES for azidosulfonyl N-diazosulfamate is [N-]=[N+]=NS(=O)(=O)OS(=O)(=O)N=[N+]=[N-].
What is the InChIKey of azidosulfonyl N-diazosulfamate?
The InChIKey is AYKJUUOPJZUSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/N6O5S2/c1-3-5-12(7,8)11-13(9,10)6-4-2.
What are the key properties of azidosulfonyl N-diazosulfamate?
azidosulfonyl N-diazosulfamate has a molecular weight of 228.17 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azidosulfonyl N-diazosulfamate is sourced from PubChem (CID 19868343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).