(Z)-N-(4-ethoxybenzenesulfonyl)benzene-1-carbonimidoyl chloride

• ChemBase ID: 229313
• Molecular Formular: C15H14ClNO3S
• Molecular Mass: 323.79456
• Monoisotopic Mass: 323.03829199
• SMILES: S(=O)(=O)(/N=C(/c1ccccc1)\Cl)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)S(=O)(=O)/N=C(/c1ccccc1)\Cl
• InChI: InChI=1S/C15H14ClNO3S/c1-2-20-13-8-10-14(11-9-13)21(18,19)17-15(16)12-6-4-3-5-7-12/h3-11H,2H2,1H3/b17-15-
• InChIKey: SXNWIYKPSXCVMK-ICFOKQHNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-(4-ethoxybenzenesulfonyl)benzene-1-carbonimidoyl chloride
• IUPAC Traditional name: (Z)-N-(4-ethoxybenzenesulfonyl)benzene-1-carbonimidoyl chloride
• Synonyms: N-(Chloro-phenyl-methylene)-4-ethoxy-benzenesulfonamide

Database IDs

• MDL Number: MFCD06660484
• PubChem SID: 164285223
• PubChem CID: 9637304

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5220265
• LogD (pH = 7.4): 3.5220265
• Log P: 3.5220265
• Molar Refractivity: 83.5575 cm^3
• Polarizability: 32.827522 Å^3
• Polar Surface Area: 55.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%