6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide

• ChemBase ID: 252450
• Molecular Formular: C10H9ClN2O3S
• Molecular Mass: 272.70806
• Monoisotopic Mass: 272.00224084
• SMILES: S(=O)(=O)(c1cnc(cc1)Cl)NCc1occc1
• Canonical SMILES: Clc1ccc(cn1)S(=O)(=O)NCc1ccco1
• InChI: InChI=1S/C10H9ClN2O3S/c11-10-4-3-9(7-12-10)17(14,15)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2
• InChIKey: DDCCIGORNPGVJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
• IUPAC Traditional name: 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
• Synonyms: 6-chloro-N-(2-furylmethyl)pyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD05155368
• PubChem SID: 164308360
• PubChem CID: 822465

CALCULATED PROPERTIES

• Acid pKa: 8.987496
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1940967
• LogD (pH = 7.4): 1.1844155
• Log P: 1.1942219
• Molar Refractivity: 63.8253 cm^3
• Polarizability: 25.07039 Å^3
• Polar Surface Area: 72.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.273

Product Information

• Purity: 95%