azocane-1-sulfonamide

• ChemBase ID: 267765
• Molecular Formular: C7H16N2O2S
• Molecular Mass: 192.27914
• Monoisotopic Mass: 192.09324876
• SMILES: S(=O)(=O)(N1CCCCCCC1)N
• Canonical SMILES: NS(=O)(=O)N1CCCCCCC1
• InChI: InChI=1S/C7H16N2O2S/c8-12(10,11)9-6-4-2-1-3-5-7-9/h1-7H2,(H2,8,10,11)
• InChIKey: YCJDVNTVQXJPBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azocane-1-sulfonamide
• IUPAC Traditional name: azocane-1-sulfonamide
• Synonyms: azocane-1-sulfonamide

Database IDs

• MDL Number: MFCD11205209
• PubChem SID: 164323675
• PubChem CID: 43132039

CALCULATED PROPERTIES

• Acid pKa: 11.239616
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.19555098
• LogD (pH = 7.4): 0.19549601
• Log P: 0.19555168
• Molar Refractivity: 47.979 cm^3
• Polarizability: 19.764751 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.078

Product Information

• Purity: 95%