(chloroamino) hydrogen sulfate

H2ClNO4S — CID 173476516

IUPAC(chloroamino) hydrogen sulfate
SMILESO=S(=O)(O)ONCl
InChIInChI=1S/ClH2NO4S/c1-2-6-7(3,4)5/h2H,(H,3,4,5)
InChIKeySQSHUKAFOSRGLZ-UHFFFAOYSA-N
MW147.54 g/mol
LogP-0.54
Rot. Bonds2

About (chloroamino) hydrogen sulfate

(chloroamino) hydrogen sulfate (PubChem CID 173476516) has the molecular formula H2ClNO4S and a molecular weight of 147.54 g/mol. Its IUPAC name is (chloroamino) hydrogen sulfate.

Molecular Properties

Compound Name(chloroamino) hydrogen sulfate
PubChem CID173476516
Molecular FormulaH2ClNO4S
Molecular Weight147.54 g/mol
Exact Mass146.94
IUPAC Name(chloroamino) hydrogen sulfate
SMILESO=S(=O)(O)ONCl
InChIInChI=1S/ClH2NO4S/c1-2-6-7(3,4)5/h2H,(H,3,4,5)
InChIKeySQSHUKAFOSRGLZ-UHFFFAOYSA-N
XLogP-0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.54
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Chlorooxysulfamic acid
CID 21832450
Amino hydrogen sulfate;hydrochloride
CID 85652645
CID 158175999
CID 158175999
Hydroxylamine;sulfuric acid;hydrochloride
CID 160261321
Oxido-(sulfoamino)oxychloranium
CID 173097097

Frequently Asked Questions

What is the IUPAC name of (chloroamino) hydrogen sulfate?
The IUPAC name of (chloroamino) hydrogen sulfate (CID 173476516) is (chloroamino) hydrogen sulfate.
What is the SMILES notation for (chloroamino) hydrogen sulfate?
The canonical SMILES for (chloroamino) hydrogen sulfate is O=S(=O)(O)ONCl.
What is the InChIKey of (chloroamino) hydrogen sulfate?
The InChIKey is SQSHUKAFOSRGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH2NO4S/c1-2-6-7(3,4)5/h2H,(H,3,4,5).
What are the key properties of (chloroamino) hydrogen sulfate?
(chloroamino) hydrogen sulfate has a molecular weight of 147.54 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (chloroamino) hydrogen sulfate is sourced from PubChem (CID 173476516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).