44825304 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 17 17 16 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 3 6 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 17 18 19 20 20 21 22 23 23 24 24 26 26 27 27 28 29 30 30 30 21 21 4 5 8 15 25 29 11 12 13 14 16 19 25 44 13 31 32 14 33 34 35 36 37 38 18 20 23 24 18 19 21 39 22 22 40 25 41 26 42 27 43 28 45 28 46 29 30 47 48 49 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 12.1651 13.2825 8.9282 8.4282 9.4282 14.0561 2.866 8.0622 6.3301 12.4725 8.0622 7.1962 7.1962 6.3301 9.7942 5.4641 11.5263 10.6603 11.5263 9.7942 12.4725 10.6603 5.4641 4.5981 13.0561 4.5981 3.732 3.732 2.866 2 8.6728 8.2742 6.7976 7.5947 7.5947 6.7976 5.7196 6.1181 10.6603 9.2573 10.6603 6.001 4.5981 12.6651 4.5981 3.1951 1.69 1.4631 2.31 -0.2967 -0.6619 -1.053 -1.919 -0.1869 -2.053 3.447 -0.553 0.447 -2.8577 0.447 -1.053 0.947 -0.553 -1.553 0.947 -1.553 -1.053 -2.553 -2.553 -1.2482 -3.053 1.947 0.447 -2.053 2.447 0.947 1.947 2.447 1.947 0.3394 1.0296 -1.5279 -1.5279 1.422 1.422 -0.4453 -1.1356 -0.433 -2.863 -3.673 2.257 -0.173 -3.447 3.067 0.637 2.484 1.637 1.4101 8 8 8 8 8 8 8 8 8 8 8 8 15 15 16 16 17 17 19 20 23 24 26 27 18 20 23 24 18 19 22 22 26 27 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 784 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38004600000000000000000000000001600000003C6080000000000058014000001E06104000000C0EC1D88432C183C000028802A5525070C200102502000888190866C8486032C19591D42108609400C8C9871C89809E08040080000200001008010000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-3,3-dichloro-indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,3-dichloro-1H-indol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-3,3-dichloro-1<I>H</I>-indol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-3,3-dichloro-1H-indol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,3-bis(chloranyl)-5-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-1H-indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[4-(4-acetylphenyl)piperazino]sulfonyl-3,3-dichloro-oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H19Cl2N3O4S/c1-13(26)14-2-4-15(5-3-14)24-8-10-25(11-9-24)30(28,29)16-6-7-18-17(12-16)20(21,22)19(27)23-18/h2-7,12H,8-11H2,1H3,(H,23,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MUSVVOMAOFJUNY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 467.0473327 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H19Cl2N3O4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 468.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4(Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4(Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 95.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 467.0473327 30 0 0 0 0 0 0 0 1 -1