N-cyclopentyl-4-methoxybenzene-1-sulfonamide

• ChemBase ID: 299427
• Molecular Formular: C12H17NO3S
• Molecular Mass: 255.33328
• Monoisotopic Mass: 255.09291441
• SMILES: c1(ccc(cc1)OC)S(=O)(=O)NC1CCCC1
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)NC1CCCC1
• InChI: InChI=1S/C12H17NO3S/c1-16-11-6-8-12(9-7-11)17(14,15)13-10-4-2-3-5-10/h6-10,13H,2-5H2,1H3
• InChIKey: WITRMUHEXKYGRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-methoxybenzene-1-sulfonamide
• IUPAC Traditional name: N-cyclopentyl-4-methoxybenzenesulfonamide
• Synonyms: N-Cyclopentyl-4-methoxybenzenesulfonamide

Database IDs

• PubChem SID: 180684958
• PubChem CID: 779732

CALCULATED PROPERTIES

• Acid pKa: 10.443333
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9999789
• LogD (pH = 7.4): 1.9996352
• Log P: 1.9999833
• Molar Refractivity: 65.989 cm^3
• Polarizability: 26.61257 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%