2-amino-4-(morpholine-4-sulfonyl)phenol

• ChemBase ID: 229525
• Molecular Formular: C10H14N2O4S
• Molecular Mass: 258.29416
• Monoisotopic Mass: 258.06742794
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(c(cc1)O)N
• Canonical SMILES: Oc1ccc(cc1N)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C10H14N2O4S/c11-9-7-8(1-2-10(9)13)17(14,15)12-3-5-16-6-4-12/h1-2,7,13H,3-6,11H2
• InChIKey: QTSNZFZCMRCYCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-(morpholine-4-sulfonyl)phenol
• IUPAC Traditional name: 2-amino-4-(morpholine-4-sulfonyl)phenol
• Synonyms: 2-Amino-4-(morpholine-4-sulfonyl)-phenol

Database IDs

• MDL Number: MFCD02704609
• PubChem SID: 164285435
• PubChem CID: 3792121

CALCULATED PROPERTIES

• Acid pKa: 9.079523
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.32490566
• LogD (pH = 7.4): -0.3333087
• Log P: -0.32436302
• Molar Refractivity: 63.7651 cm^3
• Polarizability: 24.776335 Å^3
• Polar Surface Area: 92.86 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 0.439

Product Information

• Purity: 95%