N-[(1R,2R)-2-[[[[(1R,2R)-2-(Dimethylamino)cyclohexyl]amino]thioxomethyl]amino]-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

Name: N-[(1R,2R)-2-[[[[(1R,2R)-2-(Dimethylamino)cyclohexyl]amino]thioxomethyl]amino]-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
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CAS No. 1020665-73-9
Cat. No. CS-0040404
Purity≥95%
MDL No.MFCD27922596

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N-[(1R,2R)-2-[[[[(1R,2R)-2-(Dimethylamino)cyclohexyl]amino]thioxomethyl]amino]-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide|CS-0040404

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General Information

CAS No. 1020665-73-9
Cat. No. CS-0040404
Purity ≥95%
MDL No. MFCD27922596
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₁H₃₄F₆N₄O₂S₂
Molecular Weight 672.75
Synonym(s) N-[(1R,2R)-2-[[[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]thioxoMethyl]aMino]-1,2-diphenylethyl]-3,5-bis(trifluoroMethyl)-BenzenesulfonaMide
SMILES O=S(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)(N[C@@H]([C@H](NC(N[C@@H]2CCCC[C@H]2N(C)C)=S)C3=CC=CC=C3)C4=CC=CC=C4)=O

Description

This sulfonamide features a sterically hindered cyclohexyl amine scaffold paired with electron-deficient trifluoromethyl aryl groups, enabling selective binding in kinase inhibition studies. The dimethylamino functionality enhances solubility and metabolic stability under standard bench conditions.

Application

N-[(1R,2R)-2-[[[[(1R,2R)-2-(Dimethylamino)cyclohexyl]amino]thioxomethyl]amino]-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide serves as a versatile bifunctional building block in medicinal chemistry, enabling the construction of complex chiral scaffolds. Its thioxoamide functionality facilitates amide bond formation and transition metal-catalyzed coupling reactions, while the trifluoromethyl-substituted sulfonamide enhances metabolic stability and membrane permeability. The rigid diphenylethyl moiety provides conformational constraint, and the dimethylaminocyclohexyl group offers favorable solubility and handling characteristics for iterative synthesis workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 73.47
LogP 6.822
H_Acceptors 4
H_Donors 3
Rotatable_Bonds 9

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N-[(1R,2R)-2-[[[[(1R,2R)-2-(Dimethylamino)cyclohexyl]amino]thioxomethyl]amino]-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

CAS No. 1020665-73-9

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