446241 -OEChem-10051719513D 34 35 0 0 0 0 0 0 0999 V2000 -5.6020 0.6732 -0.4085 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3097 1.8079 1.9659 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9883 -2.1349 -0.6591 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 1.4436 -2.0776 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 -2.3392 0.0992 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2704 -0.2814 -1.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2035 1.0282 0.8693 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 -0.4455 1.3642 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2979 2.1061 -1.2882 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1813 -0.7630 1.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 -0.1737 0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3772 -0.7942 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9755 0.1093 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 -1.2644 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0598 -1.1945 -0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 0.0579 1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 -0.7427 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2927 0.5096 1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6492 1.0994 0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 -0.9070 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 1.6470 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3686 -0.3593 -1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 0.9176 -1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 -1.8514 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 -0.3779 2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4727 0.4590 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5951 -1.8529 -1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 0.3701 2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -1.0611 -1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7539 1.1721 1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9399 2.6411 0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6486 -0.9271 -2.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5266 2.1083 -2.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4795 3.0015 -0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 4 23 1 0 0 0 0 5 14 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 M END > DB02221 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DVTYOTODFLDHRL-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1F > InChI=1S/C14H11F3N2O3S/c15-9-5-12(16)11(13(17)6-9)7-19-14(20)8-1-3-10(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22) > DVTYOTODFLDHRL-UHFFFAOYSA-N > C14H11F3N2O3S > 344.309 > 344.044247533 > 3 > 34 > -0.0011221678149701392 > 30.041348819984794 > 1 > 2 > 0 > 1 > 4-sulfamoyl-N-[(2,4,6-trifluorophenyl)methyl]benzamide > 2.32 > 1.806171872 > -4.45 > 0 > 0 > 2 > 0 > 14.248607105942027 > 9.949474371522165 > -1.2750837378848103 > 89.25999999999999 > 77.45280000000001 > 4 > 1 > 1.23e-02 g/l > tetrahydrofolic acid > 0 $$$$