[2-(morpholine-4-sulfonyl)phenyl]methanol

• ChemBase ID: 101513
• Molecular Formular: C11H15NO4S
• Molecular Mass: 257.3061
• Monoisotopic Mass: 257.07217897
• SMILES: S(=O)(=O)(N1CCOCC1)c1c(CO)cccc1
• Canonical SMILES: OCc1ccccc1S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C11H15NO4S/c13-9-10-3-1-2-4-11(10)17(14,15)12-5-7-16-8-6-12/h1-4,13H,5-9H2
• InChIKey: BOQHDNNWBAICEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholine-4-sulfonyl)phenyl]methanol
• IUPAC Traditional name: [2-(morpholine-4-sulfonyl)phenyl]methanol
• Synonyms: [2-(morpholinosulfonyl)phenyl]methanol

Database IDs

• CAS Number: 937796-15-1
• MDL Number: MFCD09817562
• PubChem SID: 162087165
• PubChem CID: 24229772

CALCULATED PROPERTIES

• Acid pKa: 14.480419
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.0407785
• LogD (pH = 7.4): 0.04077846
• Log P: 0.0407785
• Molar Refractivity: 63.8997 cm^3
• Polarizability: 25.446968 Å^3
• Polar Surface Area: 66.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%