CAS 1027345-12-5

4-[[(1R)-3-(4-Morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide

Description:

The chemical substance known as 4-[[(1R)-3-(4-Morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide, with CAS number 1027345-12-5, is a complex organic compound characterized by its multifunctional structure. It features a sulfonamide group, which is known for its biological activity, particularly in pharmaceuticals. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its pharmacokinetic properties. The morpholine ring contributes to its potential as a bioactive molecule, often enhancing solubility and receptor binding. Additionally, the phenylthio group may provide specific interactions with biological targets, potentially affecting its efficacy and selectivity. This compound is likely to exhibit significant interactions with various biological systems, making it of interest in medicinal chemistry and drug development. Its structural complexity suggests potential applications in treating various conditions, although specific biological activities would require empirical investigation. Overall, this compound exemplifies the intricate design often found in modern pharmaceutical agents.

Formula: C₂₁H₂₆F₃N₃O₅S₃

InChI: InChI=1S/C21H26F3N3O5S3/c22-21(23,24)34(28,29)20-14-18(35(25,30)31)6-7-19(20)26-16(8-9-27-10-12-32-13-11-27)15-33-17-4-2-1-3-5-17/h1-7,14,16,26H,8-13,15H2,(H2,25,30,31)/t16-/m1/s1

InChI key: InChIKey=WDHCLDUKGHLEOU-MRXNPFEDSA-N

SMILES: N([C@H](CCN1CCOCC1)CSC2=CC=CC=C2)C3=C(S(C(F)(F)F)(=O)=O)C=C(S(N)(=O)=O)C=C3

Synonyms:

• Benzenesulfonamide, 4-[[(1R)-3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]-
• 4-[[(R)-3-(Morpholin-4-yl)-1-[(phenylsulfanyl)methyl]propyl]amino]-3-trifluoromethylsulfonylbenzenesulfonamide
• 4-[[(1R)-3-(4-Morpholinyl)-1-[(phenylsulfanyl)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide
• 4-[[(1R)-3-(4-Morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide