N-cyclopropyl-4-hydrazinylbenzene-1-sulfonamide

• ChemBase ID: 268416
• Molecular Formular: C9H13N3O2S
• Molecular Mass: 227.28342
• Monoisotopic Mass: 227.07284767
• SMILES: S(=O)(=O)(NC1CC1)c1ccc(NN)cc1
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)NC1CC1
• InChI: InChI=1S/C9H13N3O2S/c10-11-7-3-5-9(6-4-7)15(13,14)12-8-1-2-8/h3-6,8,11-12H,1-2,10H2
• InChIKey: JNFYMPORFZLQOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-hydrazinylbenzene-1-sulfonamide
• IUPAC Traditional name: N-cyclopropyl-4-hydrazinylbenzenesulfonamide
• Synonyms: N-cyclopropyl-4-hydrazinylbenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD12174071
• PubChem SID: 164324326
• PubChem CID: 43454008

CALCULATED PROPERTIES

• Acid pKa: 10.821367
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.51115525
• LogD (pH = 7.4): 0.65777725
• Log P: 0.6601598
• Molar Refractivity: 60.0305 cm^3
• Polarizability: 22.988613 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 1.006

Product Information

• Purity: 95%