{4-[4-(propan-2-yl)benzenesulfonyl]phenyl}hydrazine

• ChemBase ID: 231266
• Molecular Formular: C15H18N2O2S
• Molecular Mass: 290.38062
• Monoisotopic Mass: 290.10889883
• SMILES: S(=O)(=O)(c1ccc(cc1)C(C)C)c1ccc(NN)cc1
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)C
• InChI: InChI=1S/C15H18N2O2S/c1-11(2)12-3-7-14(8-4-12)20(18,19)15-9-5-13(17-16)6-10-15/h3-11,17H,16H2,1-2H3
• InChIKey: IULNVWCMNWGYSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[4-(propan-2-yl)benzenesulfonyl]phenyl}hydrazine
• IUPAC Traditional name: [4-(4-isopropylbenzenesulfonyl)phenyl]hydrazine
• Synonyms: [4-(4-Isopropyl-benzenesulfonyl)-phenyl]-hydrazine

Database IDs

• MDL Number: MFCD03965958
• PubChem SID: 164287176
• PubChem CID: 2390001

CALCULATED PROPERTIES

• Acid pKa: 18.576094
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.4989588
• LogD (pH = 7.4): 3.5638332
• Log P: 3.5647323
• Molar Refractivity: 83.4877 cm^3
• Polarizability: 32.39334 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): 3.736

Product Information

• Purity: 95%