4-ethoxy-N-[4-(hydrazinecarbonyl)phenyl]benzene-1-sulfonamide

• ChemBase ID: 230456
• Molecular Formular: C15H17N3O4S
• Molecular Mass: 335.37818
• Monoisotopic Mass: 335.09397704
• SMILES: S(=O)(=O)(Nc1ccc(C(=O)NN)cc1)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NN
• InChI: InChI=1S/C15H17N3O4S/c1-2-22-13-7-9-14(10-8-13)23(20,21)18-12-5-3-11(4-6-12)15(19)17-16/h3-10,18H,2,16H2,1H3,(H,17,19)
• InChIKey: BOPIQZHITNGCMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-N-[4-(hydrazinecarbonyl)phenyl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-ethoxy-N-[4-(hydrazinecarbonyl)phenyl]benzenesulfonamide
• Synonyms: 4-Ethoxy-N-(4-hydrazinocarbonyl-phenyl)-benzenesulfonamide

Database IDs

• MDL Number: MFCD02704356
• PubChem SID: 164286366
• PubChem CID: 3823728

CALCULATED PROPERTIES

• Acid pKa: 7.8497977
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.2115389
• LogD (pH = 7.4): 1.0995015
• Log P: 1.2142124
• Molar Refractivity: 87.6645 cm^3
• Polarizability: 33.844402 Å^3
• Polar Surface Area: 110.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 181°C
• Hydrophobicity(logP): 1.614

Product Information

• Purity: 95%