N,N-bis(3-methylbutyl)sulfamoyl chloride

• ChemBase ID: 261941
• Molecular Formular: C10H22ClNO2S
• Molecular Mass: 255.80518
• Monoisotopic Mass: 255.10597763
• SMILES: S(=O)(=O)(N(CCC(C)C)CCC(C)C)Cl
• Canonical SMILES: CC(CCN(S(=O)(=O)Cl)CCC(C)C)C
• InChI: InChI=1S/C10H22ClNO2S/c1-9(2)5-7-12(15(11,13)14)8-6-10(3)4/h9-10H,5-8H2,1-4H3
• InChIKey: DAPGCOVJHZPQCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(3-methylbutyl)sulfamoyl chloride
• IUPAC Traditional name: N,N-bis(3-methylbutyl)sulfamoyl chloride
• Synonyms: bis(3-methylbutyl)sulfamoyl chloride

Database IDs

• MDL Number: MFCD08442618
• PubChem SID: 164317851
• PubChem CID: 16769428

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0181568
• LogD (pH = 7.4): 3.0181568
• Log P: 3.0181568
• Molar Refractivity: 65.5157 cm^3
• Polarizability: 26.378244 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.165

Product Information

• Purity: 95%