2-chloro-N-(4-chlorophenyl)-5-(hydrazinecarbonyl)benzene-1-sulfonamide

• ChemBase ID: 230538
• Molecular Formular: C13H11Cl2N3O3S
• Molecular Mass: 360.21574
• Monoisotopic Mass: 358.98981759
• SMILES: S(=O)(=O)(c1cc(C(=O)NN)ccc1Cl)Nc1ccc(Cl)cc1
• Canonical SMILES: NNC(=O)c1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)Cl)Cl
• InChI: InChI=1S/C13H11Cl2N3O3S/c14-9-2-4-10(5-3-9)18-22(20,21)12-7-8(13(19)17-16)1-6-11(12)15/h1-7,18H,16H2,(H,17,19)
• InChIKey: ZFIJKZWDTWPPOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-chlorophenyl)-5-(hydrazinecarbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: 2-chloro-N-(4-chlorophenyl)-5-(hydrazinecarbonyl)benzenesulfonamide
• Synonyms: 2-Chloro-N-(4-chloro-phenyl)-5-hydrazinocarbonyl-benzenesulfonamide

Database IDs

• MDL Number: MFCD02707728
• PubChem SID: 164286448
• PubChem CID: 2322266

CALCULATED PROPERTIES

• Acid pKa: 7.0380807
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.211409
• LogD (pH = 7.4): 1.8056971
• Log P: 2.223165
• Molar Refractivity: 86.0623 cm^3
• Polarizability: 33.345993 Å^3
• Polar Surface Area: 101.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.502

Product Information

• Purity: 95%