N-benzylsulfamoyl chloride

• ChemBase ID: 255737
• Molecular Formular: C7H8ClNO2S
• Molecular Mass: 205.66192
• Monoisotopic Mass: 204.99642718
• SMILES: S(=O)(=O)(NCc1ccccc1)Cl
• Canonical SMILES: ClS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C7H8ClNO2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2
• InChIKey: SFAOLWKGJFXPND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14529132
• PubChem SID: 164311647
• PubChem CID: 13529095

CALCULATED PROPERTIES

• Acid pKa: 8.721402
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2968864
• LogD (pH = 7.4): 1.2792335
• Log P: 1.2971175
• Molar Refractivity: 48.3872 cm^3
• Polarizability: 19.427908 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.899

Product Information

• Purity: 95%