oxido-(sulfoamino)oxychloranium

H2ClNO5S — CID 173097097

IUPACoxido-(sulfoamino)oxychloranium
SMILESO=S(=O)(O)NO[Cl+][O-]
InChIInChI=1S/ClH2NO5S/c3-1-7-2-8(4,5)6/h2H,(H,4,5,6)
InChIKeyFGDPVMJCYIHLLL-UHFFFAOYSA-N
MW163.54 g/mol
LogP-2.41
Rot. Bonds3

About oxido-(sulfoamino)oxychloranium

oxido-(sulfoamino)oxychloranium (PubChem CID 173097097) has the molecular formula H2ClNO5S and a molecular weight of 163.54 g/mol. Its IUPAC name is oxido-(sulfoamino)oxychloranium.

Molecular Properties

Compound Nameoxido-(sulfoamino)oxychloranium
PubChem CID173097097
Molecular FormulaH2ClNO5S
Molecular Weight163.54 g/mol
Exact Mass162.93
IUPAC Nameoxido-(sulfoamino)oxychloranium
SMILESO=S(=O)(O)NO[Cl+][O-]
InChIInChI=1S/ClH2NO5S/c3-1-7-2-8(4,5)6/h2H,(H,4,5,6)
InChIKeyFGDPVMJCYIHLLL-UHFFFAOYSA-N
XLogP-2.41
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.54
LogP ≤ 5-2.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 oxido-(sulfoamino)oxychloranium?
The IUPAC name of oxido-(sulfoamino)oxychloranium (CID 173097097) is oxido-(sulfoamino)oxychloranium.
What is the SMILES notation for oxido-(sulfoamino)oxychloranium?
The canonical SMILES for oxido-(sulfoamino)oxychloranium is O=S(=O)(O)NO[Cl+][O-].
What is the InChIKey of oxido-(sulfoamino)oxychloranium?
The InChIKey is FGDPVMJCYIHLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH2NO5S/c3-1-7-2-8(4,5)6/h2H,(H,4,5,6).
What are the key properties of oxido-(sulfoamino)oxychloranium?
oxido-(sulfoamino)oxychloranium has a molecular weight of 163.54 g/mol, XLogP of -2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-(sulfoamino)oxychloranium is sourced from PubChem (CID 173097097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).