29810717 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 9 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 7 8 8 8 9 9 10 10 11 12 12 12 13 13 14 15 17 18 18 18 19 19 19 20 20 21 21 22 22 23 23 24 25 25 26 26 27 27 28 28 5 6 9 19 15 29 14 18 16 10 16 32 11 13 11 15 30 14 16 21 17 31 22 17 33 20 34 35 36 37 38 25 26 23 39 24 40 24 41 42 27 43 28 44 29 45 29 46 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 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 2.866 6.3301 9.7942 5.4641 3.366 2.366 2.866 4.5981 3.732 4.5981 3.732 3.732 4.5981 4.5981 5.4641 3.732 5.4641 6.3301 2 7.1962 2.866 4.5981 2.866 3.732 8.0622 7.1962 8.9282 8.0622 8.9282 3.1951 4.5981 5.135 6.001 6.7287 5.9316 1.69 1.4631 2.31 2.3291 5.135 2.3291 3.732 8.0622 6.6592 9.4651 8.0622 -2.817 -0.817 0.183 1.683 -3.683 -1.951 0.183 0.183 -2.317 -0.817 -1.317 1.683 -2.817 2.183 -1.317 0.683 -2.317 2.183 -3.317 1.683 2.183 3.183 3.183 3.683 2.183 0.683 1.683 0.183 0.683 -1.007 -3.437 0.493 -2.627 2.658 2.658 -2.78 -3.627 -3.8539 1.873 3.493 3.493 4.303 2.803 0.373 1.993 -0.437 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 10 12 12 13 14 15 20 20 21 22 23 25 26 27 28 11 13 11 15 14 21 17 22 17 25 26 23 24 24 27 28 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 646 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A39804000000000000000000000000000000000003060C0000000000000015000001F04100000000C0CA1D80AB2C782C0040A880225525070C20800252A10088819066CC80C2636E4B59B86396CE6F411C8E98798C8208E00000000200800000000000040100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-fluoro-5-methylsulfonyl-phenyl)-2-[(4-fluorophenyl)methoxy]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-fluoro-5-methylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-fluoro-5-methylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-fluoro-5-methylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-fluoranyl-5-methylsulfonyl-phenyl)-2-[(4-fluorophenyl)methoxy]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-fluorobenzyl)oxy-N-(2-fluoro-5-mesyl-phenyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H17F2NO4S/c1-29(26,27)16-10-11-18(23)19(12-16)24-21(25)17-4-2-3-5-20(17)28-13-14-6-8-15(22)9-7-14/h2-12H,13H2,1H3,(H,24,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VHAAQQFGKGLPBZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.08463552 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H17F2NO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 80.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.08463552 29 0 0 0 0 0 0 0 1 -1