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

• ChemBase ID: 230540
• Molecular Formular: C13H11Cl2N3O3S
• Molecular Mass: 360.21574
• Monoisotopic Mass: 358.98981759
• SMILES: S(=O)(=O)(c1cc(C(=O)NN)ccc1Cl)Nc1c(Cl)cccc1
• Canonical SMILES: NNC(=O)c1ccc(c(c1)S(=O)(=O)Nc1ccccc1Cl)Cl
• InChI: InChI=1S/C13H11Cl2N3O3S/c14-9-3-1-2-4-11(9)18-22(20,21)12-7-8(13(19)17-16)5-6-10(12)15/h1-7,18H,16H2,(H,17,19)
• InChIKey: KJDCWAIPKBVAHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03147237
• PubChem SID: 164286450
• PubChem CID: 2389225

CALCULATED PROPERTIES

• Acid pKa: 8.229034
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.2216601
• LogD (pH = 7.4): 2.1704028
• Log P: 2.223165
• Molar Refractivity: 86.0623 cm^3
• Polarizability: 33.362534 Å^3
• Polar Surface Area: 101.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 100°C
• Hydrophobicity(logP): 1.942

Product Information

• Purity: 95%