29209-09-4
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, 3,4-DIHYDRO-2-METHYL-3-OXO-N-[3-(TRIFLUOROMETHYL)PHENYL]-, 1,1-DIOXIDE
Name2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, 3,4-DIHYDRO-2-METHYL-3-OXO-N-[3-(TRIFLUOROMETHYL)PHENYL]-, 1,1-DIOXIDE
FormulaC17 H13 F3 N2 O4 S
1Identification
【Name】
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, 3,4-DIHYDRO-2-METHYL-3-OXO-N-[3-(TRIFLUOROMETHYL)PHENYL]-, 1,1-DIOXIDE
【CAS】
【MDL】
MFCD17019433
【English Synonyms】
【Formula】
C17 H13 F3 N2 O4 S
【MolWeight】
398.36
【Inchi】
InChI=1S/C17H13F3N2O4S/c1-22-16(24)14(12-7-2-3-8-13(12)27(22,25)26)15(23)21-11-6-4-5-10(9-11)17(18,19)20/h2-9,14H,1H3,(H,21,23)
【InChIKey】
InChIKey=QUNRGGUMLSPQRW-UHFFFAOYSA-N
【SMILES】
CN1C(=O)C(c2ccccc2S1(=O)=O)C(=O)Nc3cccc(c3)C(F)(F)F
【MOL File】
2H-1,2-BENZOTHIAZINE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, 3,4-DIHYDRO-2-METHYL-3-OXO-N-[3-(TRIFLUOROMETHYL)PHENYL]-, 1,1-DIOXIDE.cml