44825308 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 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 1 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 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 15 16 17 17 18 19 19 19 20 20 21 21 22 24 24 25 25 26 27 27 2 3 6 13 23 27 48 9 10 11 12 14 18 23 43 11 28 29 12 30 31 32 33 34 35 16 17 20 21 16 18 19 36 22 37 22 23 38 39 24 40 25 41 42 26 44 26 45 27 46 47 2 2 1 1 2 1 1 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 2 1 1 1 1 1 1 1 2 1 1 2 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 9.4651 8.9651 9.9651 14.593 2.5369 8.5991 6.8671 13.0094 8.5991 7.7331 7.7331 6.8671 10.3312 6.001 12.0632 11.1972 10.3312 12.0632 13.0094 5.135 6.001 11.1972 13.593 4.269 5.135 4.269 3.403 9.2097 8.8112 7.3346 8.1316 8.1316 7.3346 6.2565 6.655 11.1972 9.7942 13.5468 12.7584 5.135 6.538 11.1972 13.202 3.732 5.135 3.8015 3.0044 2 -0.553 -1.419 0.3131 -1.553 2.447 -0.053 0.947 -2.3577 0.947 -0.553 1.447 -0.053 -1.053 1.447 -1.053 -0.553 -2.053 -2.053 -0.7482 0.947 2.447 -2.553 -1.553 1.447 2.947 2.447 2.947 0.8394 1.5296 -1.0279 -1.0279 1.922 1.922 0.0547 -0.6356 0.067 -2.363 -0.439 -0.1813 0.327 2.757 -3.173 -2.947 1.137 3.567 3.422 3.422 2.757 8 8 8 8 8 8 8 8 8 8 8 8 13 13 14 14 15 15 17 18 20 21 24 25 16 17 20 21 16 18 22 22 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 634 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38004000000000000000000000000001600000003C6080000000000058014000001E04104800000C08E1D80630C183C00202880225525070C20010210200088819086C88087632C0959194700864D401C8D8079CD8A38E08040080000200001008010000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-[4-(hydroxymethyl)phenyl]piperazin-1-yl]sulfonylindolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[4-[4-(hydroxymethyl)phenyl]-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-[4-(hydroxymethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-[4-(hydroxymethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-[4-(hydroxymethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-(4-methylolphenyl)piperazino]sulfonyloxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H21N3O4S/c23-13-14-1-3-16(4-2-14)21-7-9-22(10-8-21)27(25,26)17-5-6-18-15(11-17)12-19(24)20-18/h1-6,11,23H,7-10,12-13H2,(H,20,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XHLPQABRSQUNNF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 387.12527733 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H21N3O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 387.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CCN1C2=CC=C(C=C2)CO)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CCN1C2=CC=C(C=C2)CO)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 98.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 387.12527733 27 0 0 0 0 0 0 0 1 -1