120231 -OEChem-10051719423D 17 17 0 0 0 0 0 0 0999 V2000 2.1317 -0.0002 -0.1037 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7413 0.0005 0.0451 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 -1.2604 -0.6823 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 1.2591 -0.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 0.0008 1.5647 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3865 -0.0001 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3106 1.2079 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3107 -1.2080 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 1.2081 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 -1.2079 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 0.0002 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 2.1603 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 -2.1605 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2482 2.1483 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2486 -2.1480 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 -0.8600 1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8911 0.8619 1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 11 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 M END > DB01784 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LFLSATHZMYYIAQ-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC=C(F)C=C1 > InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10) > LFLSATHZMYYIAQ-UHFFFAOYSA-N > C6H6FNO2S > 175.181 > 175.010327336 > 2 > 17 > -0.0015389827479504812 > 14.757516032306032 > 1 > 1 > 0 > 0 > 4-fluorobenzene-1-sulfonamide > 0.62 > 0.7219785219999999 > -1.91 > 0 > 0 > 1 > 0 > 9.812097362047577 > 60.160000000000004 > 38.4323 > 1 > 1 > 2.16e+00 g/l > biotin > 0 $$$$