9865808 -OEChem-06141815343D 37 39 0 0 0 0 0 0 0999 V2000 1.2220 5.8181 -0.1002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -1.6733 -0.0538 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4992 -1.1011 0.0588 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 -2.6860 -1.0199 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4251 -2.6469 1.1595 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0418 -2.5625 -1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4521 -0.4041 0.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 -0.6060 0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 -1.6375 0.0227 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 -2.5409 1.4065 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6764 0.6191 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3001 -0.8578 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9738 1.8787 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 0.3677 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 -1.0365 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1683 0.0547 0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7773 -2.0169 -0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0306 -1.3582 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -0.1967 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -2.2683 -0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6207 2.5019 1.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6482 2.4737 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3551 -1.8488 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 3.7202 1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 3.6920 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3838 4.3153 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 1.0962 0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 0.8664 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1169 -2.7397 -1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 0.5015 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -3.1810 -1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8837 2.0629 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 2.0003 -2.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 4.1963 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 4.1438 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1344 -3.5462 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4129 -2.0701 2.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 23 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 15 2 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 23 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 22 25 2 0 0 0 0 22 33 1 0 0 0 0 24 26 2 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 M END > DB14059 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NSQNZEUFHPTJME-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(Cl)C=C1)C(F)(F)F > InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25) > NSQNZEUFHPTJME-UHFFFAOYSA-N > C16H11ClF3N3O2S > 401.79 > 401.02126 > 3 > 37 > 35.201656099458106 > 1 > 1 > 0 > 1 > 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide > 4.51 > 4.100065061333334 > -5.00 > 0 > 3 > 0 > 10.601121602494183 > -0.4350272803093357 > 77.97999999999999 > 91.9978 > 4 > 1 > 4.00e-03 g/l > 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide > 0 $$$$