sulfamoyl hydrogen sulfate

H3NO6S2 — CID 57485389

IUPACsulfamoyl hydrogen sulfate
SMILESNS(=O)(=O)OS(=O)(=O)O
InChIInChI=1S/H3NO6S2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H,4,5,6)
InChIKeyQFARLUFBHFUZOK-UHFFFAOYSA-N
MW177.16 g/mol
LogP-1.99
Rot. Bonds2

About sulfamoyl hydrogen sulfate

sulfamoyl hydrogen sulfate (PubChem CID 57485389) has the molecular formula H3NO6S2 and a molecular weight of 177.16 g/mol. Its IUPAC name is sulfamoyl hydrogen sulfate.

Molecular Properties

Compound Namesulfamoyl hydrogen sulfate
PubChem CID57485389
Molecular FormulaH3NO6S2
Molecular Weight177.16 g/mol
Exact Mass176.94
IUPAC Namesulfamoyl hydrogen sulfate
SMILESNS(=O)(=O)OS(=O)(=O)O
InChIInChI=1S/H3NO6S2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H,4,5,6)
InChIKeyQFARLUFBHFUZOK-UHFFFAOYSA-N
XLogP-1.99
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfamoyl hydrogen sulfate?
The IUPAC name of sulfamoyl hydrogen sulfate (CID 57485389) is sulfamoyl hydrogen sulfate.
What is the SMILES notation for sulfamoyl hydrogen sulfate?
The canonical SMILES for sulfamoyl hydrogen sulfate is NS(=O)(=O)OS(=O)(=O)O.
What is the InChIKey of sulfamoyl hydrogen sulfate?
The InChIKey is QFARLUFBHFUZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO6S2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H,4,5,6).
What are the key properties of sulfamoyl hydrogen sulfate?
sulfamoyl hydrogen sulfate has a molecular weight of 177.16 g/mol, XLogP of -1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoyl hydrogen sulfate is sourced from PubChem (CID 57485389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).