N-ethylsulfamoyl chloride

• ChemBase ID: 54135
• Molecular Formular: C2H6ClNO2S
• Molecular Mass: 143.59254
• Monoisotopic Mass: 142.98077712
• SMILES: S(=O)(=O)(Cl)NCC
• Canonical SMILES: CCNS(=O)(=O)Cl
• InChI: InChI=1S/C2H6ClNO2S/c1-2-4-7(3,5)6/h4H,2H2,1H3
• InChIKey: JUDKSMSHAHXBFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylsulfamoyl chloride
• IUPAC Traditional name: N-ethylsulfamoyl chloride
• Synonyms: Ethylsulfamoyl chloride; N-ethylsulfamoyl chloride

Database IDs

• CAS Number: 16548-07-5
• MDL Number: MFCD12401754
• PubChem SID: 162058898
• PubChem CID: 11040810

CALCULATED PROPERTIES

• Acid pKa: 9.480819
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.07058785
• LogD (pH = 7.4): -0.07372728
• Log P: -0.07054764
• Molar Refractivity: 28.5232 cm^3
• Polarizability: 11.825341 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.34

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%