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

• ChemBase ID: 233257
• Molecular Formular: C11H15NO4S
• Molecular Mass: 257.3061
• Monoisotopic Mass: 257.07217897
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(CO)ccc1
• Canonical SMILES: OCc1cccc(c1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C11H15NO4S/c13-9-10-2-1-3-11(8-10)17(14,15)12-4-6-16-7-5-12/h1-3,8,13H,4-7,9H2
• InChIKey: PTHYGSUCUYDAKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(morpholine-4-sulfonyl)phenyl]methanol
• IUPAC Traditional name: [3-(morpholine-4-sulfonyl)phenyl]methanol
• Synonyms: [3-(morpholin-4-ylsulfonyl)phenyl]methanol

Database IDs

• MDL Number: MFCD04635874
• PubChem SID: 164289167
• PubChem CID: 2452209

CALCULATED PROPERTIES

• Acid pKa: 14.699003
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.0407785
• LogD (pH = 7.4): 0.040778477
• Log P: 0.0407785
• Molar Refractivity: 63.8997 cm^3
• Polarizability: 25.446531 Å^3
• Polar Surface Area: 66.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96 - 98°C
• Hydrophobicity(logP): 0.245

Product Information

• Purity: 95%