N-benzyl-S-(4-chlorophenyl)-1-(hydrazinecarbonyl)methanesulfonamido

• ChemBase ID: 230590
• Molecular Formular: C15H16ClN3O3S
• Molecular Mass: 353.82384
• Monoisotopic Mass: 353.06009007
• SMILES: S(=O)(=O)(N(CC(=O)NN)Cc1ccccc1)c1ccc(cc1)Cl
• Canonical SMILES: NNC(=O)CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccccc1
• InChI: InChI=1S/C15H16ClN3O3S/c16-13-6-8-14(9-7-13)23(21,22)19(11-15(20)18-17)10-12-4-2-1-3-5-12/h1-9H,10-11,17H2,(H,18,20)
• InChIKey: ZBOIPCWLZGGCJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-S-(4-chlorophenyl)-1-(hydrazinecarbonyl)methanesulfonamido
• IUPAC Traditional name: N-benzyl-S-(4-chlorophenyl)-1-(hydrazinecarbonyl)methanesulfonamido
• Synonyms: N-Benzyl-4-chloro-N-hydrazinocarbonylmethyl-benzenesulfonamide

Database IDs

• MDL Number: MFCD02733036
• PubChem SID: 164286500
• PubChem CID: 1092319

CALCULATED PROPERTIES

• Acid pKa: 11.439367
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7287658
• LogD (pH = 7.4): 1.729664
• Log P: 1.7297115
• Molar Refractivity: 89.8176 cm^3
• Polarizability: 35.270214 Å^3
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.376

Product Information

• Purity: 95%