29810427 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 16 9 8 8 8 8 7 6 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 2 3 3 6 7 7 7 8 8 9 9 10 11 11 12 12 12 13 14 16 16 16 17 18 18 19 19 20 20 21 22 22 23 23 24 24 25 25 26 26 27 4 5 8 16 13 17 22 15 9 15 30 10 11 10 13 28 14 29 15 17 18 14 31 32 33 34 19 20 35 21 36 21 37 38 23 24 25 39 26 40 27 41 27 42 43 2 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 2 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 2.866 6.3301 5.4641 3.366 2.366 2.866 4.5981 3.732 4.5981 3.732 4.5981 3.732 5.4641 5.4641 3.732 2 4.5981 2.866 4.5981 2.866 3.732 6.3301 6.3301 7.1962 7.1962 8.0622 8.0622 3.1951 4.5981 5.135 6.001 1.69 1.4631 2.31 2.3291 5.135 2.3291 3.732 5.7932 7.1962 7.1962 8.5991 8.5991 -2.817 -0.817 1.683 -3.683 -1.951 0.183 0.183 -2.317 -0.817 -1.317 -2.817 1.683 -1.317 -2.317 0.683 -3.317 2.183 2.183 3.183 3.183 3.683 2.183 3.183 1.683 3.683 2.183 3.183 -1.007 -3.437 0.493 -2.627 -2.78 -3.627 -3.8539 1.873 3.493 3.493 4.303 3.493 1.063 4.303 1.873 3.493 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 11 12 12 13 17 18 19 20 22 22 23 24 25 26 10 11 10 13 14 17 18 14 19 20 21 21 23 24 25 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 600 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A39004000000000000000000000000000000000003060C0000000000000015000001F04100000000C0C81D808B2C782C0040A880225525070C20800252A10088819066CC80C2636E4B59B86396CE6F411C8E98798C8208E00000000200800000000000040100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-fluoro-5-methylsulfonyl-phenyl)-2-phenoxy-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-fluoro-5-methylsulfonylphenyl)-2-phenoxybenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(2-fluoro-5-methylsulfonylphenyl)-2-phenoxybenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-fluoro-5-methylsulfonylphenyl)-2-phenoxybenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-fluoranyl-5-methylsulfonyl-phenyl)-2-phenoxy-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-fluoro-5-mesyl-phenyl)-2-phenoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H16FNO4S/c1-27(24,25)15-11-12-17(21)18(13-15)22-20(23)16-9-5-6-10-19(16)26-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YTYDMHPLUZMDPN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.07840733 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H16FNO4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 80.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 385.07840733 27 0 0 0 0 0 0 0 1 -1