N-methyl-N-(oxan-4-yl)sulfamoyl chloride

• ChemBase ID: 277989
• Molecular Formular: C6H12ClNO3S
• Molecular Mass: 213.68238
• Monoisotopic Mass: 213.02264193
• SMILES: S(=O)(=O)(N(C1CCOCC1)C)Cl
• Canonical SMILES: CN(S(=O)(=O)Cl)C1CCOCC1
• InChI: InChI=1S/C6H12ClNO3S/c1-8(12(7,9)10)6-2-4-11-5-3-6/h6H,2-5H2,1H3
• InChIKey: ZWWBGYONISXJSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxan-4-yl)sulfamoyl chloride
• IUPAC Traditional name: N-methyl-N-(oxan-4-yl)sulfamoyl chloride
• Synonyms: N-methyl-N-(oxan-4-yl)sulfamoyl chloride

Database IDs

• MDL Number: MFCD12089165
• PubChem SID: 164333899
• PubChem CID: 43611014

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.24249344
• LogD (pH = 7.4): -0.24249344
• Log P: -0.24249344
• Molar Refractivity: 47.1468 cm^3
• Polarizability: 19.125254 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.175

Product Information

• Purity: 95%