4-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]morpholine

• ChemBase ID: 236297
• Molecular Formular: C14H19N3O6S
• Molecular Mass: 357.38216
• Monoisotopic Mass: 357.09945634
• SMILES: S(=O)(=O)(c1cc([N+](=O)[O-])c(N2CCOCC2)cc1)N1CCOCC1
• Canonical SMILES: [O-][N+](=O)c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C14H19N3O6S/c18-17(19)14-11-12(24(20,21)16-5-9-23-10-6-16)1-2-13(14)15-3-7-22-8-4-15/h1-2,11H,3-10H2
• InChIKey: ZUSHGIMCLKVKEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]morpholine
• IUPAC Traditional name: 4-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]morpholine
• Synonyms: 4-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]morpholine

Database IDs

• MDL Number: MFCD00206503
• PubChem SID: 164292207
• PubChem CID: 2818602

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.63765585
• LogD (pH = 7.4): 0.63765585
• Log P: 0.63765585
• Molar Refractivity: 87.9116 cm^3
• Polarizability: 33.454193 Å^3
• Polar Surface Area: 104.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 0.955

Product Information

• Purity: 95%