1700 -OEChem-10051721083D 34 35 0 0 0 0 0 0 0999 V2000 -5.3868 0.7500 -0.2998 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 1.5342 1.6181 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2218 2.4952 -0.3675 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4506 -2.5363 0.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1366 -0.1915 -1.1196 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9155 1.1644 0.9923 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0301 -0.6363 1.2335 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0528 2.1450 -1.2282 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 -1.0129 1.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2082 -0.9026 0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 0.1148 -0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2822 -0.4783 0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.4323 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9577 -1.2966 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7436 0.0001 1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2424 -0.7879 -0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0285 0.5088 1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 0.7853 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -1.2524 -0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6715 1.2797 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -0.7581 -1.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9187 0.5079 -1.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4816 -2.1039 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6837 -0.6049 2.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 0.2901 1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5564 -1.9941 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2067 0.3104 2.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8054 -1.1027 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4261 1.2101 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0901 -2.2418 -0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 -1.3593 -2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5576 0.8929 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3238 2.1344 -2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1713 3.0592 -0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 18 1 0 0 0 0 3 20 1 0 0 0 0 4 13 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M END > DB07742 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QASSMVGOSBNFQY-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC(F)=C1F > InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21) > QASSMVGOSBNFQY-UHFFFAOYSA-N > C14H12F2N2O3S > 326.318 > 326.05366936 > 3 > 34 > -0.0011220639238770508 > 29.940753041881017 > 1 > 2 > 0 > 1 > N-[(2,3-difluorophenyl)methyl]-4-sulfamoylbenzamide > 1.90 > 1.6634699356666665 > -4.26 > 0 > 0 > 2 > 0 > 14.312865851049144 > 9.949511600223834 > -1.2708781656732477 > 89.25999999999999 > 77.23640000000002 > 4 > 1 > 1.81e-02 g/l > tetrahydrofolic acid > 0 $$$$