N,N-dibutylsulfamoyl chloride

• ChemBase ID: 257856
• Molecular Formular: C8H18ClNO2S
• Molecular Mass: 227.75202
• Monoisotopic Mass: 227.0746775
• SMILES: S(=O)(=O)(N(CCCC)CCCC)Cl
• Canonical SMILES: CCCCN(S(=O)(=O)Cl)CCCC
• InChI: InChI=1S/C8H18ClNO2S/c1-3-5-7-10(8-6-4-2)13(9,11)12/h3-8H2,1-2H3
• InChIKey: VMJGICXHKZERPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutylsulfamoyl chloride
• IUPAC Traditional name: N,N-dibutylsulfamoyl chloride
• Synonyms: dibutylsulfamoyl chloride

Database IDs

• MDL Number: MFCD00962266
• PubChem SID: 164313766
• PubChem CID: 3815528

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4441185
• LogD (pH = 7.4): 2.4441185
• Log P: 2.4441185
• Molar Refractivity: 56.4185 cm^3
• Polarizability: 22.718088 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.367

Product Information

• Purity: 95%