N-propylsulfamoyl chloride

• ChemBase ID: 798966
• Molecular Formular: C3H8ClNO2S
• Molecular Mass: 157.61912
• Monoisotopic Mass: 156.99642718
• SMILES: O=S(=O)(NCCC)Cl
• Canonical SMILES: CCCNS(=O)(=O)Cl
• InChI: InChI=1S/C3H8ClNO2S/c1-2-3-5-8(4,6)7/h5H,2-3H2,1H3
• InChIKey: GVTQDHSVABMRGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylsulfamoyl chloride
• IUPAC Traditional name: N-propylsulfamoyl chloride
• Synonyms: propylsulfamoyl chloride

Database IDs

• CAS Number: 10305-42-7

CALCULATED PROPERTIES

• Acid pKa: 9.221489
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4519017
• LogD (pH = 7.4): 0.44621927
• Log P: 0.45197475
• Molar Refractivity: 33.0472 cm^3
• Polarizability: 13.625315 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%