4-cyano-N,N-diethylbenzene-1-sulfonamide

• ChemBase ID: 252275
• Molecular Formular: C11H14N2O2S
• Molecular Mass: 238.30606
• Monoisotopic Mass: 238.0775987
• SMILES: S(=O)(=O)(c1ccc(C#N)cc1)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)c1ccc(cc1)C#N)CC
• InChI: InChI=1S/C11H14N2O2S/c1-3-13(4-2)16(14,15)11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3
• InChIKey: WJLPGQLMVQFEHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyano-N,N-diethylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-cyano-N,N-diethylbenzenesulfonamide
• Synonyms: 4-cyano-N,N-diethylbenzenesulfonamide

Database IDs

• MDL Number: MFCD00510134
• PubChem SID: 164308185
• PubChem CID: 2827833

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5963408
• LogD (pH = 7.4): 1.5963408
• Log P: 1.5963408
• Molar Refractivity: 63.2281 cm^3
• Polarizability: 24.80722 Å^3
• Polar Surface Area: 61.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.828

Product Information

• Purity: 95%