4-hydrazinyl-N-phenylbenzene-1-sulfonamide hydrochloride

• ChemBase ID: 268879
• Molecular Formular: C12H14ClN3O2S
• Molecular Mass: 299.77646
• Monoisotopic Mass: 299.04952538
• SMILES: S(=O)(=O)(Nc1ccccc1)c1ccc(NN)cc1.Cl
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)Nc1ccccc1.Cl
• InChI: InChI=1S/C12H13N3O2S.ClH/c13-14-10-6-8-12(9-7-10)18(16,17)15-11-4-2-1-3-5-11;/h1-9,14-15H,13H2;1H
• InChIKey: ABNPNGLANABIHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-N-phenylbenzene-1-sulfonamide hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-N-phenylbenzenesulfonamide hydrochloride
• Synonyms: 4-hydrazinyl-N-phenylbenzene-1-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD16817448
• PubChem SID: 164324789
• PubChem CID: 50988741

CALCULATED PROPERTIES

• Acid pKa: 8.387269
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.703832
• LogD (pH = 7.4): 1.8122821
• Log P: 1.8525537
• Molar Refractivity: 72.5969 cm^3
• Polarizability: 27.752094 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.081

Product Information

• Purity: 95%