6852167 -OEChem-03271816013D 40 41 0 0 0 0 0 0 0999 V2000 4.0853 -2.5765 -0.6219 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3713 -0.1327 1.3730 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 -1.1392 0.7653 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7067 0.8442 2.2224 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1533 -1.1986 1.9803 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3018 3.3787 0.2071 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2709 1.5095 -0.3317 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3513 0.6942 0.2451 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4228 0.7720 -0.7628 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0185 -0.1537 0.7869 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1693 -0.8824 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -0.9629 -0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -0.3957 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4774 -0.4597 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4851 -1.9364 -0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 -2.0167 -1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7648 1.7303 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 0.5378 -1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 -2.5034 -1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8263 2.7531 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7887 -0.0539 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 1.3637 -2.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1593 0.6137 0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3330 0.2147 1.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 0.4279 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1628 0.1966 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5711 -2.4692 -1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9454 2.2302 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3729 1.2637 -1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7236 -3.3251 -1.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4066 3.5221 -1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6747 2.2794 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 1.9184 -1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 0.7365 -2.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1906 2.0906 -2.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0902 -0.8652 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9735 4.0278 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5951 -0.8289 1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1945 0.8473 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0767 0.3362 2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 6 20 1 0 0 0 0 6 37 1 0 0 0 0 7 23 2 0 0 0 0 8 17 1 0 0 0 0 8 26 1 0 0 0 0 9 18 1 0 0 0 0 9 21 2 0 0 0 0 10 21 1 0 0 0 0 10 23 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 16 19 2 0 0 0 0 16 27 1 0 0 0 0 17 20 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 22 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END > DB06836 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JFVNFXCESCXMBC-UHFFFAOYSA-N/SDF?record_type=3d > [H]N(CCO)S(=O)(=O)C1=C(Cl)C=CC(=C1)C1=C(C)N=C(S1)N([H])C(C)=O > InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20) > JFVNFXCESCXMBC-UHFFFAOYSA-N > C14H16ClN3O4S2 > 389.878 > 389.027075102 > 5 > 40 > 38.33644266742926 > 1 > 3 > 0 > 1 > N-(5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide > 1.48 > 1.072950086 > -4.09 > 0 > 2 > 0 > 8.983747277050885 > 7.9955754827444245 > -0.3790196880653912 > 108.39 > 93.26620000000001 > 5 > 1 > 3.15e-02 g/l > N-(5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide > 0 $$$$