2-(morpholine-4-sulfonyl)aniline

• ChemBase ID: 254721
• Molecular Formular: C10H14N2O3S
• Molecular Mass: 242.29476
• Monoisotopic Mass: 242.07251332
• SMILES: S(=O)(=O)(c1c(N)cccc1)N1CCOCC1
• Canonical SMILES: Nc1ccccc1S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C10H14N2O3S/c11-9-3-1-2-4-10(9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2
• InChIKey: WLPZGLWVUUJJTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholine-4-sulfonyl)aniline
• IUPAC Traditional name: 2-(morpholine-4-sulfonyl)aniline
• Synonyms: 2-(morpholin-4-ylsulfonyl)aniline

Database IDs

• CAS Number: 208643-03-2
• MDL Number: MFCD04035364
• PubChem SID: 164310631
• PubChem CID: 1132819

CALCULATED PROPERTIES

• Acid pKa: 17.655117
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.020832619
• LogD (pH = 7.4): -0.020798128
• Log P: -0.020797689
• Molar Refractivity: 61.7842 cm^3
• Polarizability: 24.122053 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 1.296

Product Information

• Purity: 95%