N-(2,5-dichlorophenyl)-3-(hydrazinecarbonyl)benzene-1-sulfonamide

• ChemBase ID: 230455
• Molecular Formular: C13H11Cl2N3O3S
• Molecular Mass: 360.21574
• Monoisotopic Mass: 358.98981759
• SMILES: S(=O)(=O)(Nc1cc(ccc1Cl)Cl)c1cc(C(=O)NN)ccc1
• Canonical SMILES: NNC(=O)c1cccc(c1)S(=O)(=O)Nc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C13H11Cl2N3O3S/c14-9-4-5-11(15)12(7-9)18-22(20,21)10-3-1-2-8(6-10)13(19)17-16/h1-7,18H,16H2,(H,17,19)
• InChIKey: SKCMQMFLHAPYTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dichlorophenyl)-3-(hydrazinecarbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-(2,5-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
• Synonyms: N-(2,5-Dichloro-phenyl)-3-hydrazinocarbonyl-benzenesulfonamide

Database IDs

• MDL Number: MFCD02704359
• PubChem SID: 164286365
• PubChem CID: 3564295

CALCULATED PROPERTIES

• Acid pKa: 8.678611
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.2221274
• LogD (pH = 7.4): 2.2034714
• Log P: 2.223165
• Molar Refractivity: 86.0623 cm^3
• Polarizability: 33.329407 Å^3
• Polar Surface Area: 101.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.189

Product Information

• Purity: 95%