16473 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 17 16 8 8 8 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 2 2 2 2 3 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 15 16 16 17 18 18 19 19 20 21 4 5 7 20 15 8 14 15 37 38 9 10 22 11 23 24 12 25 26 13 27 28 13 29 30 31 32 16 33 34 17 17 18 19 21 35 20 36 21 1 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 1 1 1 1 1 1 1 2 2 1 1 1 1 2 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 3.403 3.403 7.2579 3.903 2.903 7.5309 2.5369 8.5309 9.0309 9.0309 10.0309 10.0309 10.5309 6.9473 6.9473 6.001 6.001 5.135 5.135 4.269 4.269 8.2209 8.4483 9.1385 9.1385 8.4483 9.9232 10.6135 10.6135 9.9232 11.0058 11.0058 6.6962 7.4846 5.135 5.135 2.5369 2 -1.56 0.44 1.1952 1.306 -0.426 -0.56 0.94 -0.56 -1.426 0.306 -1.426 0.306 -0.56 -1.3647 0.2447 -1.06 -0.06 -1.56 0.44 -0.06 -1.06 -1.0969 -1.6381 -2.0366 0.9166 0.5181 -2.0366 -1.6381 0.5181 0.9166 -0.9585 -0.1615 -1.9316 -1.674 -2.18 1.06 1.56 0.63 8 8 8 8 8 8 16 16 17 18 19 20 17 18 19 21 20 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 513 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0733000440000000000000000000000000160000000306000000000000058010000001E06104000000C2AC1D824300183000002880221521070C200102405000088190806C80820328197118421086086008889871C88808E940000A0001000802800014000200100000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-2-cyclohexyl-3-oxo-isoindoline-5-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-2-cyclohexyl-3-oxo-1<I>H</I>-isoindole-5-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-2-cyclohexyl-3-oxo-1H-isoindole-5-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloranyl-2-cyclohexyl-3-oxidanylidene-1H-isoindole-5-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-2-cyclohexyl-3-keto-isoindoline-5-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VPMWFZKOWULPGT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.0648413 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H17ClN2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)N2CC3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)N2CC3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 88.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.0648413 21 0 0 0 0 0 0 0 1 1