sulfamoyl chloride

• ChemBase ID: 177905
• Molecular Formular: ClH2NO2S
• Molecular Mass: 115.53938
• Monoisotopic Mass: 114.94947699
• SMILES: ClS(=O)(=O)N
• Canonical SMILES: NS(=O)(=O)Cl
• InChI: InChI=1S/ClH2NO2S/c1-5(2,3)4/h(H2,2,3,4)
• InChIKey: QAHVHSLSRLSVGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfamoyl chloride
• IUPAC Traditional name: sulfamoyl chloride
• Synonyms: Amidosulfonic Acid Chloride; Amidosulfonyl Chloride; Aminosulfonyl Chloride; Chloroimidosulfuric Acid; NSC 158265; Sulfamoyl Chloride

Database IDs

• CAS Number: 7778-42-9
• MDL Number: MFCD11519990
• PubChem SID: 164233815
• PubChem CID: 24499

CALCULATED PROPERTIES

• Acid pKa: 9.054651
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6511389
• LogD (pH = 7.4): -0.6594502
• Log P: -0.6510317
• Molar Refractivity: 18.8779 cm^3
• Polarizability: 8.264079 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - S689025

Used for the preparation of substituted glycoside sulfamates as anticonvulsant agents for the treatment of epilepsy.

REFERENCES

• Asano, N., et al.: J. Antibiot., 40, 526 (1987)
• Ikeuchi, H., et al.: Bioorg. Med. Chem., 17, 6641 (1987)