6-chloro-N-cyclopentylpyridine-3-sulfonamide

• ChemBase ID: 252578
• Molecular Formular: C10H13ClN2O2S
• Molecular Mass: 260.74042
• Monoisotopic Mass: 260.03862635
• SMILES: S(=O)(=O)(c1cnc(cc1)Cl)NC1CCCC1
• Canonical SMILES: Clc1ccc(cn1)S(=O)(=O)NC1CCCC1
• InChI: InChI=1S/C10H13ClN2O2S/c11-10-6-5-9(7-12-10)16(14,15)13-8-3-1-2-4-8/h5-8,13H,1-4H2
• InChIKey: PKHSAJUKYDRFHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-cyclopentylpyridine-3-sulfonamide
• IUPAC Traditional name: 6-chloro-N-cyclopentylpyridine-3-sulfonamide
• Synonyms: 6-chloro-N-cyclopentylpyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD08444410
• PubChem SID: 164308488
• PubChem CID: 16227304

CALCULATED PROPERTIES

• Acid pKa: 8.998187
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7640818
• LogD (pH = 7.4): 1.7546327
• Log P: 1.7642039
• Molar Refractivity: 63.235 cm^3
• Polarizability: 25.19369 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): 2.801

Product Information

• Purity: 95%