N,N-dibenzyl-6-chloropyridine-3-sulfonamide

• ChemBase ID: 232114
• Molecular Formular: C19H17ClN2O2S
• Molecular Mass: 372.86848
• Monoisotopic Mass: 372.06992647
• SMILES: S(=O)(=O)(N(Cc1ccccc1)Cc1ccccc1)c1cnc(cc1)Cl
• Canonical SMILES: Clc1ccc(cn1)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C19H17ClN2O2S/c20-19-12-11-18(13-21-19)25(23,24)22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2
• InChIKey: SYFRVJLBPHIPGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibenzyl-6-chloropyridine-3-sulfonamide
• IUPAC Traditional name: N,N-dibenzyl-6-chloropyridine-3-sulfonamide
• Synonyms: 6-Chloro-pyridine-3-sulfonic acid dibenzylamide

Database IDs

• MDL Number: MFCD03504902
• PubChem SID: 164288024
• PubChem CID: 2433225

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.082124
• LogD (pH = 7.4): 4.082124
• Log P: 4.082124
• Molar Refractivity: 100.9437 cm^3
• Polarizability: 39.50447 Å^3
• Polar Surface Area: 50.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108°C
• Hydrophobicity(logP): 4.168

Product Information

• Purity: 95%