N-cycloheptyl-4-methoxybenzene-1-sulfonamide

• ChemBase ID: 299450
• Molecular Formular: C14H21NO3S
• Molecular Mass: 283.38644
• Monoisotopic Mass: 283.12421454
• SMILES: c1(ccc(cc1)OC)S(=O)(=O)NC1CCCCCC1
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)NC1CCCCCC1
• InChI: InChI=1S/C14H21NO3S/c1-18-13-8-10-14(11-9-13)19(16,17)15-12-6-4-2-3-5-7-12/h8-12,15H,2-7H2,1H3
• InChIKey: WZBSVHIIMCBIAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptyl-4-methoxybenzene-1-sulfonamide
• IUPAC Traditional name: N-cycloheptyl-4-methoxybenzenesulfonamide
• Synonyms: N-Cycloheptyl-4-methoxybenzenesulfonamide

Database IDs

• MDL Number: MFCD00784349
• PubChem SID: 180684981
• PubChem CID: 711118

CALCULATED PROPERTIES

• Acid pKa: 10.443333
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8891163
• LogD (pH = 7.4): 2.8887725
• Log P: 2.8891206
• Molar Refractivity: 75.191 cm^3
• Polarizability: 30.285828 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%