sulfurazidic acid;sulfuryl diazide

HN9O5S2 — CID 158543020

IUPACsulfurazidic acid;sulfuryl diazide
SMILES[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[N-]=[N+]=NS(=O)(=O)O
InChIInChI=1S/N6O2S.HN3O3S/c1-3-5-9(7,8)6-4-2;1-2-3-7(4,5)6/h;(H,4,5,6)
InChIKeyHOTKTZLWVMWUHO-UHFFFAOYSA-N
MW271.20 g/mol
LogP0.95
Rot. Bonds3

About sulfurazidic acid;sulfuryl diazide

sulfurazidic acid;sulfuryl diazide (PubChem CID 158543020) has the molecular formula HN9O5S2 and a molecular weight of 271.20 g/mol. Its IUPAC name is sulfurazidic acid;sulfuryl diazide.

Molecular Properties

Compound Namesulfurazidic acid;sulfuryl diazide
PubChem CID158543020
Molecular FormulaHN9O5S2
Molecular Weight271.20 g/mol
Exact Mass270.95
IUPAC Namesulfurazidic acid;sulfuryl diazide
SMILES[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[N-]=[N+]=NS(=O)(=O)O
InChIInChI=1S/N6O2S.HN3O3S/c1-3-5-9(7,8)6-4-2;1-2-3-7(4,5)6/h;(H,4,5,6)
InChIKeyHOTKTZLWVMWUHO-UHFFFAOYSA-N
XLogP0.95
TPSA234.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 139136120
CID 139136120
Disulfoazaniumylideneazanide
CID 18446179
Diazene-1,2-disulfonic acid
CID 71335567
Azidosulfonyl hydrogen sulfate
CID 85960724
Azido(sulfinooxysulfonyl)sulfamic acid
CID 150985828
CID 173845116
CID 173845116
Sulfuric acid;sulfuryl diazide
CID 173845117
(E)-sulfoiminosulfamic acid
CID 18431952
CID 150813177
CID 150813177

Frequently Asked Questions

What is the IUPAC name of sulfurazidic acid;sulfuryl diazide?
The IUPAC name of sulfurazidic acid;sulfuryl diazide (CID 158543020) is sulfurazidic acid;sulfuryl diazide.
What is the SMILES notation for sulfurazidic acid;sulfuryl diazide?
The canonical SMILES for sulfurazidic acid;sulfuryl diazide is [N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[N-]=[N+]=NS(=O)(=O)O.
What is the InChIKey of sulfurazidic acid;sulfuryl diazide?
The InChIKey is HOTKTZLWVMWUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/N6O2S.HN3O3S/c1-3-5-9(7,8)6-4-2;1-2-3-7(4,5)6/h;(H,4,5,6).
What are the key properties of sulfurazidic acid;sulfuryl diazide?
sulfurazidic acid;sulfuryl diazide has a molecular weight of 271.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurazidic acid;sulfuryl diazide is sourced from PubChem (CID 158543020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).