850411-19-7
3-BROMO-N-(2-MORPHOLIN-4-YL-ETHYL)-5-TRIFLUOROMETHYL-BENZENESULFONAMIDE HYDROCHLORIDE
Name3-BROMO-N-(2-MORPHOLIN-4-YL-ETHYL)-5-TRIFLUOROMETHYL-BENZENESULFONAMIDE HYDROCHLORIDE
pro_formulaC13 H16 Br F3 N2 O3 S . Cl H
1Identification
【Name】
3-BROMO-N-(2-MORPHOLIN-4-YL-ETHYL)-5-TRIFLUOROMETHYL-BENZENESULFONAMIDE HYDROCHLORIDE
【CAS】
【MDL】
MFCD08706165
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H16 Br F3 N2 O3 S . Cl H
【pro_molWeight】
453.705
【Inchi】
InChI=1S/C13H16BrF3N2O3S.ClH/c14-11-7-10(13(15,16)17)8-12(9-11)23(20,21)18-1-2-19-3-5-22-6-4-19;/h7-9,18H,1-6H2;1H
【InChIKey】
InChIKey=IRMKZHVXFILLPU-UHFFFAOYSA-N
【SMILES】
c1c(cc(cc1S(=O)(=O)NCCN2CCOCC2)Br)C(F)(F)F.Cl
【MOL File】
3-BROMO-N-(2-MORPHOL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-BROMO-N-(2-MORPHOLIN-4-YL-ETHYL)-5-TRIFLUOROMETHYL-BENZENESULFONAMIDE HYDROCHLORIDE.cml