N-benzyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide

• ChemBase ID: 233352
• Molecular Formular: C14H15N3O3S
• Molecular Mass: 305.3522
• Monoisotopic Mass: 305.08341236
• SMILES: S(=O)(=O)(c1cc(C(=O)NN)ccc1)NCc1ccccc1
• Canonical SMILES: NNC(=O)c1cccc(c1)S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C14H15N3O3S/c15-17-14(18)12-7-4-8-13(9-12)21(19,20)16-10-11-5-2-1-3-6-11/h1-9,16H,10,15H2,(H,17,18)
• InChIKey: OOPWRNLJQOGPTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
• Synonyms: N-benzyl-3-(hydrazinocarbonyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD04606940
• PubChem SID: 164289262
• PubChem CID: 2442245

CALCULATED PROPERTIES

• Acid pKa: 9.856744
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.0807899
• LogD (pH = 7.4): 1.0802389
• Log P: 1.0815904
• Molar Refractivity: 81.2877 cm^3
• Polarizability: 31.310274 Å^3
• Polar Surface Area: 101.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.34

Product Information

• Purity: 95%