N-(cyclopropylmethyl)-N-propylsulfamoyl chloride

• ChemBase ID: 254842
• Molecular Formular: C7H14ClNO2S
• Molecular Mass: 211.70956
• Monoisotopic Mass: 211.04337737
• SMILES: S(=O)(=O)(N(CC1CC1)CCC)Cl
• Canonical SMILES: CCCN(S(=O)(=O)Cl)CC1CC1
• InChI: InChI=1S/C7H14ClNO2S/c1-2-5-9(12(8,10)11)6-7-3-4-7/h7H,2-6H2,1H3
• InChIKey: VNMZLVZGYUDHPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-N-propylsulfamoyl chloride
• IUPAC Traditional name: N-(cyclopropylmethyl)-N-propylsulfamoyl chloride
• Synonyms: cyclopropylmethyl(propyl)sulfamoyl chloride

Database IDs

• MDL Number: MFCD08443299
• PubChem SID: 164310752
• PubChem CID: 16770038

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4562281
• LogD (pH = 7.4): 1.4562281
• Log P: 1.4562281
• Molar Refractivity: 49.8859 cm^3
• Polarizability: 20.184174 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.224

Product Information

• Purity: 95%