4-[4-(morpholine-4-sulfonyl)phenyl]aniline

• ChemBase ID: 242527
• Molecular Formular: C16H18N2O3S
• Molecular Mass: 318.39072
• Monoisotopic Mass: 318.10381345
• SMILES: S(=O)(=O)(N1CCOCC1)c1ccc(c2ccc(N)cc2)cc1
• Canonical SMILES: Nc1ccc(cc1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C16H18N2O3S/c17-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22(19,20)18-9-11-21-12-10-18/h1-8H,9-12,17H2
• InChIKey: RRJCPRXTDIWEAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(morpholine-4-sulfonyl)phenyl]aniline
• IUPAC Traditional name: 4-[4-(morpholine-4-sulfonyl)phenyl]aniline
• Synonyms: 4'-(morpholin-4-ylsulfonyl)-1,1'-biphenyl-4-amine

Database IDs

• MDL Number: MFCD06660738
• PubChem SID: 164298437
• PubChem CID: 4961655

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6199477
• LogD (pH = 7.4): 1.6263455
• Log P: 1.6264277
• Molar Refractivity: 86.9204 cm^3
• Polarizability: 35.006634 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%