4-(morpholine-4-sulfonyl)benzaldehyde

• ChemBase ID: 240035
• Molecular Formular: C11H13NO4S
• Molecular Mass: 255.29022
• Monoisotopic Mass: 255.0565289
• SMILES: S(=O)(=O)(N1CCOCC1)c1ccc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(cc1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C11H13NO4S/c13-9-10-1-3-11(4-2-10)17(14,15)12-5-7-16-8-6-12/h1-4,9H,5-8H2
• InChIKey: NGHPZJANMYNWNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholine-4-sulfonyl)benzaldehyde
• IUPAC Traditional name: 4-(morpholine-4-sulfonyl)benzaldehyde
• Synonyms: 4-(morpholine-4-sulfonyl)benzaldehyde

Database IDs

• MDL Number: MFCD11101102
• PubChem SID: 164295945
• PubChem CID: 39733778

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5206306
• LogD (pH = 7.4): 0.5206306
• Log P: 0.5206306
• Molar Refractivity: 63.6678 cm^3
• Polarizability: 24.894243 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.856

Product Information

• Purity: 95%