4-methoxy-3-(morpholine-4-sulfonyl)aniline

• ChemBase ID: 17373
• Molecular Formular: C11H16N2O4S
• Molecular Mass: 272.32074
• Monoisotopic Mass: 272.083078
• SMILES: c1(c(ccc(c1)N)OC)S(=O)(=O)N1CCOCC1
• Canonical SMILES: COc1ccc(cc1S(=O)(=O)N1CCOCC1)N
• InChI: InChI=1S/C11H16N2O4S/c1-16-10-3-2-9(12)8-11(10)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7,12H2,1H3
• InChIKey: FHZVZNFGVYTNBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-(morpholine-4-sulfonyl)aniline
• IUPAC Traditional name: 4-methoxy-3-(morpholine-4-sulfonyl)aniline
• Synonyms: 4-Methoxy-3-(morpholine-4-sulfonyl)-phenylamine

Database IDs

• MDL Number: MFCD03970369
• PubChem SID: 160980680
• PubChem CID: 3161250

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.18081315
• LogD (pH = 7.4): -0.17849855
• Log P: -0.17846896
• Molar Refractivity: 68.2474 cm^3
• Polarizability: 26.670717 Å^3
• Polar Surface Area: 81.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): 0.129

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%