9535379 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 16 8 8 8 8 7 7 7 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 4 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 17 18 18 19 19 19 20 22 22 22 2 3 6 13 16 21 9 10 11 12 16 17 21 36 11 23 24 12 25 26 27 28 29 30 15 18 15 17 19 31 22 20 20 32 21 33 34 35 37 38 39 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 1 2 1 1 1 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 6.3301 5.8301 6.8301 2.866 11.458 5.4641 3.732 9.8744 5.4641 4.5981 4.5981 3.732 7.1962 8.9282 8.0622 2.866 8.9282 7.1962 9.8744 8.0622 10.458 2 6.0747 5.6762 4.1996 4.9966 4.9966 4.1996 3.1215 3.52 8.0622 6.6592 10.4118 9.6234 8.0622 10.067 1.69 1.4631 2.31 -0.303 -1.169 0.5631 2.697 -1.303 0.197 1.197 -2.1077 1.197 -0.303 1.697 0.197 -0.803 -0.803 -0.303 1.697 -1.803 -1.803 -0.4982 -2.303 -1.303 1.197 1.0894 1.7796 -0.7779 -0.7779 2.172 2.172 0.3047 -0.3856 0.317 -2.113 -0.189 0.0687 -2.923 -2.697 1.734 0.887 0.6601 8 8 8 8 8 8 13 13 14 14 17 18 15 18 15 17 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 563 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07338004000000000000000000000000001600000003C4000000000000058010000001E04104000000C08C1D80432C183C00002880225525070C20010210200088819086488086032C09591942008609600C8C8071C88808E00040080000200000008010000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-acetylpiperazin-1-yl)sulfonylindolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-acetyl-1-piperazinyl)sulfonyl]-1,3-dihydroindol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-acetylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-acetylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-ethanoylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(4-acetylpiperazino)sulfonyloxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H17N3O4S/c1-10(18)16-4-6-17(7-5-16)22(20,21)12-2-3-13-11(8-12)9-14(19)15-13/h2-3,8H,4-7,9H2,1H3,(H,15,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SDHJJTRQLAAMTF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -0.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.09397721 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H17N3O4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.37 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3 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 2021.05.07 323.09397721 22 0 0 0 0 0 0 0 1 -1