N-benzyl-3-(hydrazinecarbonyl)-4-hydroxybenzene-1-sulfonamide

• ChemBase ID: 251111
• Molecular Formular: C14H15N3O4S
• Molecular Mass: 321.3516
• Monoisotopic Mass: 321.07832698
• SMILES: S(=O)(=O)(c1cc(C(=O)NN)c(cc1)O)NCc1ccccc1
• Canonical SMILES: NNC(=O)c1cc(ccc1O)S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C14H15N3O4S/c15-17-14(19)12-8-11(6-7-13(12)18)22(20,21)16-9-10-4-2-1-3-5-10/h1-8,16,18H,9,15H2,(H,17,19)
• InChIKey: WFXWOOGHZRRSAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-(hydrazinecarbonyl)-4-hydroxybenzene-1-sulfonamide
• IUPAC Traditional name: N-benzyl-3-(hydrazinecarbonyl)-4-hydroxybenzenesulfonamide
• Synonyms: N-benzyl-3-(hydrazinocarbonyl)-4-hydroxybenzenesulfonamide

Database IDs

• MDL Number: MFCD04613030
• PubChem SID: 164307021
• PubChem CID: 2461729

CALCULATED PROPERTIES

• H Donor: 4
• LogD (pH = 5.5): 1.4133475
• LogD (pH = 7.4): 0.8710527
• Log P: 1.428025
• Molar Refractivity: 83.2686 cm^3
• Polarizability: 31.95 Å^3
• Polar Surface Area: 121.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 6.970329
• H Acceptors: 5

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.902

Product Information

• Purity: 95%