2-(morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline

• ChemBase ID: 229501
• Molecular Formular: C14H21N3O4S
• Molecular Mass: 327.39924
• Monoisotopic Mass: 327.12527717
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(c(N2CCOCC2)cc1)N
• Canonical SMILES: Nc1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C14H21N3O4S/c15-13-11-12(22(18,19)17-5-9-21-10-6-17)1-2-14(13)16-3-7-20-8-4-16/h1-2,11H,3-10,15H2
• InChIKey: CBWUAELWGMJHPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline
• IUPAC Traditional name: 2-(morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline
• Synonyms: 5-(Morpholine-4-sulfonyl)-2-morpholin-4-yl-phenylamine

Database IDs

• MDL Number: MFCD02697854
• PubChem SID: 164285411
• PubChem CID: 3585374

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.1313994
• LogD (pH = 7.4): -0.1312561
• Log P: -0.13125429
• Molar Refractivity: 85.2873 cm^3
• Polarizability: 32.61717 Å^3
• Polar Surface Area: 85.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212°C
• Hydrophobicity(logP): 0.467

Product Information

• Purity: 95%