N-tert-butyl-2-hydrazinylbenzene-1-sulfonamide

• ChemBase ID: 263158
• Molecular Formular: C10H17N3O2S
• Molecular Mass: 243.32588
• Monoisotopic Mass: 243.1041478
• SMILES: S(=O)(=O)(c1c(NN)cccc1)NC(C)(C)C
• Canonical SMILES: NNc1ccccc1S(=O)(=O)NC(C)(C)C
• InChI: InChI=1S/C10H17N3O2S/c1-10(2,3)13-16(14,15)9-7-5-4-6-8(9)12-11/h4-7,12-13H,11H2,1-3H3
• InChIKey: ZLFSGARQSXALFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2-hydrazinylbenzene-1-sulfonamide
• IUPAC Traditional name: N-tert-butyl-2-hydrazinylbenzenesulfonamide
• Synonyms: N-tert-butyl-2-hydrazinylbenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD12174187
• PubChem SID: 164319068
• PubChem CID: 43454944

CALCULATED PROPERTIES

• Acid pKa: 10.309832
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.2111795
• LogD (pH = 7.4): 1.2474169
• Log P: 1.248555
• Molar Refractivity: 66.6249 cm^3
• Polarizability: 25.544018 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C
• Hydrophobicity(logP): 1.659

Product Information

• Purity: 95%