N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzene-1-sulfonamide

• ChemBase ID: 230451
• Molecular Formular: C15H17N3O3S
• Molecular Mass: 319.37878
• Monoisotopic Mass: 319.09906242
• SMILES: S(=O)(=O)(Nc1c(cc(cc1)C)C)c1cc(C(=O)NN)ccc1
• Canonical SMILES: NNC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1C)C
• InChI: InChI=1S/C15H17N3O3S/c1-10-6-7-14(11(2)8-10)18-22(20,21)13-5-3-4-12(9-13)15(19)17-16/h3-9,18H,16H2,1-2H3,(H,17,19)
• InChIKey: ISYAJKRVMDOPPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-(2,4-dimethylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
• Synonyms: N-(2,4-Dimethyl-phenyl)-3-hydrazinocarbonyl-benzenesulfonamide

Database IDs

• MDL Number: MFCD02700607
• PubChem SID: 164286361
• PubChem CID: 3293529

CALCULATED PROPERTIES

• Acid pKa: 7.881126
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.03954
• LogD (pH = 7.4): 1.934024
• Log P: 2.0419185
• Molar Refractivity: 86.5351 cm^3
• Polarizability: 32.991596 Å^3
• Polar Surface Area: 101.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.669

Product Information

• Purity: 95%