N-benzyl-N-ethylsulfamoyl chloride

• ChemBase ID: 265891
• Molecular Formular: C9H12ClNO2S
• Molecular Mass: 233.71508
• Monoisotopic Mass: 233.02772731
• SMILES: S(=O)(=O)(N(Cc1ccccc1)CC)Cl
• Canonical SMILES: CCN(S(=O)(=O)Cl)Cc1ccccc1
• InChI: InChI=1S/C9H12ClNO2S/c1-2-11(14(10,12)13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
• InChIKey: IFVCKRCHZHGOEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-ethylsulfamoyl chloride
• IUPAC Traditional name: N-benzyl-N-ethylsulfamoyl chloride
• Synonyms: N-benzyl-N-ethylsulfamoyl chloride

Database IDs

• MDL Number: MFCD10691568
• PubChem SID: 164321801
• PubChem CID: 43126078

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8776015
• LogD (pH = 7.4): 1.8776015
• Log P: 1.8776015
• Molar Refractivity: 58.0325 cm^3
• Polarizability: 23.08413 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.49

Product Information

• Purity: 95%