N-benzyl-N-(2-methoxyethyl)sulfamoyl chloride

• ChemBase ID: 255391
• Molecular Formular: C10H14ClNO3S
• Molecular Mass: 263.74106
• Monoisotopic Mass: 263.03829199
• SMILES: S(=O)(=O)(N(Cc1ccccc1)CCOC)Cl
• Canonical SMILES: COCCN(S(=O)(=O)Cl)Cc1ccccc1
• InChI: InChI=1S/C10H14ClNO3S/c1-15-8-7-12(16(11,13)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
• InChIKey: KVOZRCRFOPSCDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-(2-methoxyethyl)sulfamoyl chloride
• IUPAC Traditional name: N-benzyl-N-(2-methoxyethyl)sulfamoyl chloride
• Synonyms: benzyl(2-methoxyethyl)sulfamoyl chloride

Database IDs

• MDL Number: MFCD08443329
• PubChem SID: 164311301
• PubChem CID: 16770064

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4738181
• LogD (pH = 7.4): 1.4738181
• Log P: 1.4738181
• Molar Refractivity: 64.3274 cm^3
• Polarizability: 25.647537 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.134

Product Information

• Purity: 95%