N-formylsulfamoyl iodide

CH2INO3S — CID 138533894

IUPACN-formylsulfamoyl iodide
SMILESO=CNS(=O)(=O)I
InChIInChI=1S/CH2INO3S/c2-7(5,6)3-1-4/h1H,(H,3,4)
InChIKeyPLOFMZMJWCEPSI-UHFFFAOYSA-N
MW235.00 g/mol
LogP-0.59
Rot. Bonds2

About N-formylsulfamoyl iodide

N-formylsulfamoyl iodide (PubChem CID 138533894) has the molecular formula CH2INO3S and a molecular weight of 235.00 g/mol. Its IUPAC name is N-formylsulfamoyl iodide.

Molecular Properties

Compound NameN-formylsulfamoyl iodide
PubChem CID138533894
Molecular FormulaCH2INO3S
Molecular Weight235.00 g/mol
Exact Mass234.88
IUPAC NameN-formylsulfamoyl iodide
SMILESO=CNS(=O)(=O)I
InChIInChI=1S/CH2INO3S/c2-7(5,6)3-1-4/h1H,(H,3,4)
InChIKeyPLOFMZMJWCEPSI-UHFFFAOYSA-N
XLogP-0.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.00
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formylsulfamoyl iodide?
The IUPAC name of N-formylsulfamoyl iodide (CID 138533894) is N-formylsulfamoyl iodide.
What is the SMILES notation for N-formylsulfamoyl iodide?
The canonical SMILES for N-formylsulfamoyl iodide is O=CNS(=O)(=O)I.
What is the InChIKey of N-formylsulfamoyl iodide?
The InChIKey is PLOFMZMJWCEPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2INO3S/c2-7(5,6)3-1-4/h1H,(H,3,4).
What are the key properties of N-formylsulfamoyl iodide?
N-formylsulfamoyl iodide has a molecular weight of 235.00 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formylsulfamoyl iodide is sourced from PubChem (CID 138533894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).