(sulfamoyldiazenyl) hydrogen sulfate

H3N3O6S2 — CID 154483434

IUPAC(sulfamoyldiazenyl) hydrogen sulfate
SMILESNS(=O)(=O)N=NOS(=O)(=O)O
InChIInChI=1S/H3N3O6S2/c1-10(4,5)3-2-9-11(6,7)8/h(H2,1,4,5)(H,6,7,8)
InChIKeyVHZSKBHSWAAJSN-UHFFFAOYSA-N
MW205.17 g/mol
LogP-1.62
Rot. Bonds3

About (sulfamoyldiazenyl) hydrogen sulfate

(sulfamoyldiazenyl) hydrogen sulfate (PubChem CID 154483434) has the molecular formula H3N3O6S2 and a molecular weight of 205.17 g/mol. Its IUPAC name is (sulfamoyldiazenyl) hydrogen sulfate.

Molecular Properties

Compound Name(sulfamoyldiazenyl) hydrogen sulfate
PubChem CID154483434
Molecular FormulaH3N3O6S2
Molecular Weight205.17 g/mol
Exact Mass204.95
IUPAC Name(sulfamoyldiazenyl) hydrogen sulfate
SMILESNS(=O)(=O)N=NOS(=O)(=O)O
InChIInChI=1S/H3N3O6S2/c1-10(4,5)3-2-9-11(6,7)8/h(H2,1,4,5)(H,6,7,8)
InChIKeyVHZSKBHSWAAJSN-UHFFFAOYSA-N
XLogP-1.62
TPSA148.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (sulfamoyldiazenyl) hydrogen sulfate?
The IUPAC name of (sulfamoyldiazenyl) hydrogen sulfate (CID 154483434) is (sulfamoyldiazenyl) hydrogen sulfate.
What is the SMILES notation for (sulfamoyldiazenyl) hydrogen sulfate?
The canonical SMILES for (sulfamoyldiazenyl) hydrogen sulfate is NS(=O)(=O)N=NOS(=O)(=O)O.
What is the InChIKey of (sulfamoyldiazenyl) hydrogen sulfate?
The InChIKey is VHZSKBHSWAAJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N3O6S2/c1-10(4,5)3-2-9-11(6,7)8/h(H2,1,4,5)(H,6,7,8).
What are the key properties of (sulfamoyldiazenyl) hydrogen sulfate?
(sulfamoyldiazenyl) hydrogen sulfate has a molecular weight of 205.17 g/mol, XLogP of -1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfamoyldiazenyl) hydrogen sulfate is sourced from PubChem (CID 154483434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).