4290 -OEChem-10051719483D 34 35 0 0 0 0 0 0 0999 V2000 -5.1813 0.5198 -0.6135 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8402 2.3103 0.7246 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7781 -2.1545 0.9115 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3247 1.9635 -0.4872 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5055 -0.1317 -1.8748 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 0.0843 1.2343 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0690 -0.2338 0.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -0.1102 1.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9408 -0.6035 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 0.0876 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -0.0283 0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4187 -0.9638 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6777 -1.4351 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5078 0.5737 1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9817 -1.0895 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8119 0.9191 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 1.1968 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 -1.1818 -0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9701 1.2695 -1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7244 -1.1091 -1.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2703 0.1166 -1.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 -1.0785 2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9298 0.6579 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9783 1.0465 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2531 -2.3550 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9817 1.2327 1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5393 -1.7545 -1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 1.8335 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4621 -2.1430 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3948 2.2240 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 -2.0068 -1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9291 0.1732 -2.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5071 0.3713 1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6282 -1.0603 0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 17 1 0 0 0 0 3 12 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 M END > DB02069 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ULYMHSXFSKOHGH-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1F > InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20) > ULYMHSXFSKOHGH-UHFFFAOYSA-N > C14H13FN2O3S > 308.328 > 308.063091187 > 3 > 34 > -0.001122050858955568 > 29.827396108619645 > 1 > 2 > 0 > 1 > N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide > 1.50 > 1.5207679993333332 > -4.05 > 0 > 0 > 2 > 0 > 14.341201512289208 > 9.949515471387219 > -1.2708054131833113 > 89.25999999999999 > 77.02000000000002 > 4 > 1 > 2.78e-02 g/l > biotin > 0 $$$$