10047086 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 16 8 8 8 7 7 7 7 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 1 1 1 1 4 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 13 14 14 15 15 15 16 16 17 18 19 19 21 22 23 23 24 24 25 25 26 2 3 5 14 20 9 10 11 12 15 18 20 42 17 21 11 27 28 12 29 30 31 32 33 34 16 17 20 35 19 21 36 37 38 18 23 22 24 22 39 40 41 25 43 26 44 26 45 46 2 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 13 16 17 20 35 3 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 5.9209 6.8714 4.9704 6.2619 6.2316 6.8529 4.6783 4.3211 7.2101 5.5637 7.5208 5.8744 4.6783 5.6103 7.1636 3.732 4.9889 3.732 6.2781 5.2619 4.6318 5.9674 2.866 2.866 2 2 7.2306 7.8239 5.0168 5.1812 8.0677 7.9033 5.8538 5.2606 5.2908 7.7529 7.3562 6.5742 6.8848 4.2177 6.3815 4.8709 2.866 2.866 1.4631 1.4631 1.0994 0.7887 1.4101 -3.5074 2.0499 3.951 -4.3122 -1.0079 2.2561 2.7942 3.2066 3.7447 -2.7027 0.1489 4.9015 -3.0074 -1.7522 -4.0074 -0.5954 -3.5074 -0.0573 -1.546 -2.5074 -4.5074 -3.0074 -4.0074 1.6365 2.1688 3.0862 2.3063 2.9146 3.6946 4.3644 3.8321 -2.6065 4.7089 5.4908 5.0941 -0.4676 0.4041 -2.0074 -4.9015 -1.8874 -5.1274 -2.6974 -4.3174 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 13 14 14 16 16 17 18 19 23 24 25 17 21 17 19 21 18 23 22 24 22 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 627 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0004000000000000000000000000001600000003C588000000000005801C000001E04104000000D08C1DE043EC193C81002A80335775470C2803031022008D83D3864980860FAC0D591942008609400C8C8071C88C08E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]-1,3-dihydroindol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[5-(4-methylpiperazino)sulfonyl-2-pyridyl]oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H20N4O3S/c1-21-8-10-22(11-9-21)26(24,25)13-6-7-16(19-12-13)17-14-4-2-3-5-15(14)20-18(17)23/h2-7,12,17H,8-11H2,1H3,(H,20,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DUQYHZZHWASZOG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.12561169 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H20N4O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)C3C4=CC=CC=C4NC3=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)C3C4=CC=CC=C4NC3=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 91 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.12561169 26 1 0 1 0 0 0 0 1 -1