2,5-dichlorobenzene-1-sulfonohydrazide

• ChemBase ID: 27352
• Molecular Formular: C6H6Cl2N2O2S
• Molecular Mass: 241.09504
• Monoisotopic Mass: 239.9527038
• SMILES: S(=O)(=O)(c1cc(ccc1Cl)Cl)NN
• Canonical SMILES: NNS(=O)(=O)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C6H6Cl2N2O2S/c7-4-1-2-5(8)6(3-4)13(11,12)10-9/h1-3,10H,9H2
• InChIKey: NPNJLPUAEPWAIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichlorobenzene-1-sulfonohydrazide
• IUPAC Traditional name: 2,5-dichlorobenzenesulfonohydrazide
• Synonyms: 2,5-Dichlorobenzenesulfonohydrazide

Database IDs

• MDL Number: MFCD00159279
• PubChem SID: 160990659
• PubChem CID: 2060607

CALCULATED PROPERTIES

• Acid pKa: 8.22922
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4965423
• LogD (pH = 7.4): 1.773116
• Log P: 1.4908903
• Molar Refractivity: 52.3096 cm^3
• Polarizability: 20.97497 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false