N-[(2-chloro-6-fluorophenyl)methyl]-N-methylsulfamoyl chloride

• ChemBase ID: 253950
• Molecular Formular: C8H8Cl2FNO2S
• Molecular Mass: 272.1240232
• Monoisotopic Mass: 270.96368308
• SMILES: S(=O)(=O)(N(Cc1c(Cl)cccc1F)C)Cl
• Canonical SMILES: Fc1cccc(c1CN(S(=O)(=O)Cl)C)Cl
• InChI: InChI=1S/C8H8Cl2FNO2S/c1-12(15(10,13)14)5-6-7(9)3-2-4-8(6)11/h2-4H,5H2,1H3
• InChIKey: GABIPZZSMGKWCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methylsulfamoyl chloride
• IUPAC Traditional name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methylsulfamoyl chloride
• Synonyms: 2-chloro-6-fluorobenzyl(methyl)sulfamoyl chloride

Database IDs

• MDL Number: MFCD08444959
• PubChem SID: 164309860
• PubChem CID: 16228391

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2675402
• LogD (pH = 7.4): 2.2675402
• Log P: 2.2675402
• Molar Refractivity: 58.3051 cm^3
• Polarizability: 23.010311 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.817

Product Information

• Purity: 95%