6914573 -OEChem-10051721043D 37 39 0 0 0 0 0 0 0999 V2000 7.6456 -0.6837 -0.8665 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 0.3568 1.7500 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 0.5100 -2.4918 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9539 0.8184 -0.4772 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0084 1.6041 -1.0487 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 0.1860 0.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4001 -0.1750 3.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2222 0.8887 1.6417 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 2.5100 -0.7389 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7697 1.5220 1.1787 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3947 1.0864 1.0282 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 -0.9291 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1672 -0.7489 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 0.6523 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0969 -2.1114 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4395 -0.1161 0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7559 1.1450 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0175 -1.7788 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 1.4666 -0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 0.5194 -1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -3.1412 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4234 1.6358 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 -2.9751 -1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 0.4800 -0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2223 -1.0550 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0211 -0.4575 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5341 -1.2098 0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7245 -2.2705 1.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 2.2637 0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 2.1967 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -1.6718 -2.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 -4.0722 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0644 0.3819 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2902 -3.7770 -2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5877 1.0653 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 -1.6348 2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1755 -1.9342 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 9 22 2 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 22 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 14 24 1 0 0 0 0 15 21 1 0 0 0 0 15 28 1 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 19 30 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 24 35 1 0 0 0 0 25 27 2 0 0 0 0 25 36 1 0 0 0 0 26 27 1 0 0 0 0 27 37 1 0 0 0 0 M END > DB07544 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZLQBZYKAQQWOTK-UHFFFAOYSA-N/SDF?record_type=3d > FC(F)(F)C1=CC=CC=C1S(=O)(=O)NNC(=O)C1=CC2=CC(Cl)=CC=C2O1 > InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23) > ZLQBZYKAQQWOTK-UHFFFAOYSA-N > C16H10ClF3N2O4S > 418.775 > 418.00018983 > 3 > 37 > -1.5442621218812564 > 35.715517714532155 > 1 > 2 > 0 > 1 > 5-chloro-N'-[2-(trifluoromethyl)benzenesulfonyl]-1-benzofuran-2-carbohydrazide > 3.70 > 3.405019337666667 > -4.44 > 0 > -2 > 3 > -2 > 6.923283362064888 > 4.033032112263394 > -3.0939597677132804 > 88.41000000000001 > 91.2494 > 4 > 1 > 1.52e-02 g/l > tetrahydrofolic acid > 0 $$$$