sulfamic acid;sulfuryl dichloride

H3Cl2NO5S2 — CID 174681937

IUPACsulfamic acid;sulfuryl dichloride
SMILESNS(=O)(=O)O.O=S(=O)(Cl)Cl
InChIInChI=1S/Cl2O2S.H3NO3S/c2*1-5(2,3)4/h;(H3,1,2,3,4)
InChIKeyLKHOVMKJDFCRPC-UHFFFAOYSA-N
MW232.07 g/mol
LogP-0.54
Rot. Bonds

About sulfamic acid;sulfuryl dichloride

sulfamic acid;sulfuryl dichloride (PubChem CID 174681937) has the molecular formula H3Cl2NO5S2 and a molecular weight of 232.07 g/mol. Its IUPAC name is sulfamic acid;sulfuryl dichloride.

Molecular Properties

Compound Namesulfamic acid;sulfuryl dichloride
PubChem CID174681937
Molecular FormulaH3Cl2NO5S2
Molecular Weight232.07 g/mol
Exact Mass230.88
IUPAC Namesulfamic acid;sulfuryl dichloride
SMILESNS(=O)(=O)O.O=S(=O)(Cl)Cl
InChIInChI=1S/Cl2O2S.H3NO3S/c2*1-5(2,3)4/h;(H3,1,2,3,4)
InChIKeyLKHOVMKJDFCRPC-UHFFFAOYSA-N
XLogP-0.54
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 sulfamic acid;sulfuryl dichloride?
The IUPAC name of sulfamic acid;sulfuryl dichloride (CID 174681937) is sulfamic acid;sulfuryl dichloride.
What is the SMILES notation for sulfamic acid;sulfuryl dichloride?
The canonical SMILES for sulfamic acid;sulfuryl dichloride is NS(=O)(=O)O.O=S(=O)(Cl)Cl.
What is the InChIKey of sulfamic acid;sulfuryl dichloride?
The InChIKey is LKHOVMKJDFCRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2O2S.H3NO3S/c2*1-5(2,3)4/h;(H3,1,2,3,4).
What are the key properties of sulfamic acid;sulfuryl dichloride?
sulfamic acid;sulfuryl dichloride has a molecular weight of 232.07 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamic acid;sulfuryl dichloride is sourced from PubChem (CID 174681937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).