44825289 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 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 5 -1 10 1 1 1 1 1 4 5 6 7 7 8 8 8 9 9 9 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 17 17 18 19 19 20 21 21 21 22 23 23 24 24 26 26 27 27 2 3 7 15 25 10 10 11 12 13 14 16 20 25 44 28 13 29 30 14 31 32 33 34 35 36 18 19 23 24 18 20 21 37 22 38 22 25 39 40 41 26 42 27 43 28 45 28 46 2 2 1 1 2 1 2 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 1 2 1 2 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 8.9282 8.4282 9.4282 14.0561 2 2.866 8.0622 6.3301 12.4725 2.866 8.0622 7.1962 7.1962 6.3301 9.7942 5.4641 11.5263 10.6603 9.7942 11.5263 12.4725 10.6603 4.5981 5.4641 13.0561 3.732 4.5981 3.732 8.6728 8.2742 6.7976 7.5947 7.5947 6.7976 5.7196 6.1181 10.6603 9.2573 13.0099 12.2215 10.6603 4.5981 6.001 12.6651 3.1951 4.5981 -1.053 -1.919 -0.1869 -2.053 1.947 3.447 -0.553 0.447 -2.8577 2.447 0.447 -1.053 0.947 -0.553 -1.553 0.947 -1.553 -1.053 -2.553 -2.553 -1.2482 -3.053 0.447 1.947 -2.053 0.947 2.447 1.947 0.3394 1.0296 -1.5279 -1.5279 1.422 1.422 -0.4453 -1.1356 -0.433 -2.863 -0.939 -0.6813 -3.673 -0.173 2.257 -3.447 0.637 3.067 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 19 23 24 18 20 22 22 26 27 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 703 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB8004000000000000000000000000001600000003C6080000000000058014000001E04144000000C08C1D80430C183D04002890225525370C2001021020028881908648A086032C09591942008609400C8C8071C88808E00048080000200000009010000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[4-(4-nitrophenyl)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-nitrophenyl)-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-nitrophenyl)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-nitrophenyl)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-nitrophenyl)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-nitrophenyl)piperazino]sulfonyloxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H18N4O5S/c23-18-12-13-11-16(5-6-17(13)19-18)28(26,27)21-9-7-20(8-10-21)14-1-3-15(4-2-14)22(24)25/h1-6,11H,7-10,12H2,(H,19,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QPIYEMDFUZGJBH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.09979086 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H18N4O5S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])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)[N+](=O)[O-])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 2021.10.14 124 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.09979086 28 0 0 0 0 0 0 0 1 -1