N-formylsulfamoyl chloride

CH2ClNO3S — CID 15228322

IUPACN-formylsulfamoyl chloride
SMILESO=CNS(=O)(=O)Cl
InChIInChI=1S/CH2ClNO3S/c2-7(5,6)3-1-4/h1H,(H,3,4)
InChIKeyWYJKBFFSTZBMFW-UHFFFAOYSA-N
MW143.55 g/mol
LogP-0.78
Rot. Bonds2

About N-formylsulfamoyl chloride

N-formylsulfamoyl chloride (PubChem CID 15228322) has the molecular formula CH2ClNO3S and a molecular weight of 143.55 g/mol. Its IUPAC name is N-formylsulfamoyl chloride.

Molecular Properties

Compound NameN-formylsulfamoyl chloride
PubChem CID15228322
Molecular FormulaCH2ClNO3S
Molecular Weight143.55 g/mol
Exact Mass142.94
IUPAC NameN-formylsulfamoyl chloride
SMILESO=CNS(=O)(=O)Cl
InChIInChI=1S/CH2ClNO3S/c2-7(5,6)3-1-4/h1H,(H,3,4)
InChIKeyWYJKBFFSTZBMFW-UHFFFAOYSA-N
XLogP-0.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.55
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formylsulfamoyl chloride?
The IUPAC name of N-formylsulfamoyl chloride (CID 15228322) is N-formylsulfamoyl chloride.
What is the SMILES notation for N-formylsulfamoyl chloride?
The canonical SMILES for N-formylsulfamoyl chloride is O=CNS(=O)(=O)Cl.
What is the InChIKey of N-formylsulfamoyl chloride?
The InChIKey is WYJKBFFSTZBMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClNO3S/c2-7(5,6)3-1-4/h1H,(H,3,4).
What are the key properties of N-formylsulfamoyl chloride?
N-formylsulfamoyl chloride has a molecular weight of 143.55 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formylsulfamoyl chloride is sourced from PubChem (CID 15228322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).