N-(2-methoxyethyl)-N-methylsulfamoyl chloride

• ChemBase ID: 273043
• Molecular Formular: C4H10ClNO3S
• Molecular Mass: 187.6451
• Monoisotopic Mass: 187.00699187
• SMILES: S(=O)(=O)(N(CCOC)C)Cl
• Canonical SMILES: COCCN(S(=O)(=O)Cl)C
• InChI: InChI=1S/C4H10ClNO3S/c1-6(3-4-9-2)10(5,7)8/h3-4H2,1-2H3
• InChIKey: WQEWZLQWJAZGAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14664418
• PubChem SID: 164328953
• PubChem CID: 54592729

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.25065503
• LogD (pH = 7.4): -0.25065503
• Log P: -0.25065503
• Molar Refractivity: 39.7148 cm^3
• Polarizability: 16.204334 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.442

Product Information

• Purity: 95%