4-hydrazinyl-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide dihydrochloride

• ChemBase ID: 235460
• Molecular Formular: C8H11Cl2N5O2S2
• Molecular Mass: 344.24124
• Monoisotopic Mass: 342.97312198
• SMILES: S(=O)(=O)(Nc1scnn1)c1ccc(NN)cc1.Cl.Cl
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)Nc1nncs1.Cl.Cl
• InChI: InChI=1S/C8H9N5O2S2.2ClH/c9-11-6-1-3-7(4-2-6)17(14,15)13-8-12-10-5-16-8;;/h1-5,11H,9H2,(H,12,13);2*1H
• InChIKey: CLTKRKGMFBDTSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide dihydrochloride
• IUPAC Traditional name: 4-hydrazinyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide dihydrochloride
• Synonyms: 4-hydrazinyl-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide dihydrochloride

Database IDs

• MDL Number: MFCD22196399
• PubChem SID: 164291370
• PubChem CID: 71755520

CALCULATED PROPERTIES

• Acid pKa: 6.6461797
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 0.13655457
• LogD (pH = 7.4): -0.3050035
• Log P: 0.1786547
• Molar Refractivity: 67.4014 cm^3
• Polarizability: 24.820734 Å^3
• Polar Surface Area: 110.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.297

Product Information

• Purity: 95%