N,N-bis(propan-2-yl)sulfamoyl chloride

• ChemBase ID: 798973
• Molecular Formular: C6H14ClNO2S
• Molecular Mass: 199.69886
• Monoisotopic Mass: 199.04337737
• SMILES: O=S(=O)(N(C(C)C)C(C)C)Cl
• Canonical SMILES: CC(N(S(=O)(=O)Cl)C(C)C)C
• InChI: InChI=1S/C6H14ClNO2S/c1-5(2)8(6(3)4)11(7,9)10/h5-6H,1-4H3
• InChIKey: SFDYIYJEECZQQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(propan-2-yl)sulfamoyl chloride
• IUPAC Traditional name: N,N-diisopropylsulfamoyl chloride
• Synonyms: diisopropylsulfamoyl chloride

Database IDs

• CAS Number: 10539-95-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3430865
• LogD (pH = 7.4): 1.3430865
• Log P: 1.3430865
• Molar Refractivity: 47.0061 cm^3
• Polarizability: 19.068256 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%