946398-78-3
3-CHLORO-4-[[(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYL-1-PIPERAZINYL]SULFONYL]-BENZAMIDE
Name3-CHLORO-4-[[(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYL-1-PIPERAZINYL]SULFONYL]-BENZAMIDE
pro_formulaC19 H18 Cl F4 N3 O3 S
1Identification
【Name】
3-CHLORO-4-[[(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYL-1-PIPERAZINYL]SULFONYL]-BENZAMIDE
【CAS】
【MDL】
MFCD18642620
【EnglishSynonyms】
【pro_formula】
C19 H18 Cl F4 N3 O3 S
【pro_molWeight】
479.88
【Inchi】
InChI=1S/C19H18ClF4N3O3S/c1-11-10-26(16-4-3-13(21)9-14(16)19(22,23)24)6-7-27(11)31(29,30)17-5-2-12(18(25)28)8-15(17)20/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,28)/t11-/m1/s1
【InChIKey】
InChIKey=OMWNFYWEMXUREB-LLVKDONJSA-N
【SMILES】
C[C@@H]1CN(CCN1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F
【MOL File】
3-CHLORO-4-[[(2R)-4-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-CHLORO-4-[[(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYL-1-PIPERAZINYL]SULFONYL]-BENZAMIDE.cml