56593314 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 47 48 49 50 16 9 9 9 8 8 8 8 8 7 7 6 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 7 8 8 9 10 10 10 11 11 11 12 12 13 13 14 15 15 15 16 17 17 18 18 20 22 22 23 23 24 24 24 26 26 27 28 29 29 30 30 31 31 32 33 33 33 5 6 12 21 21 21 21 19 28 33 25 13 19 36 16 25 39 14 17 14 18 34 16 19 22 23 20 35 20 37 38 26 40 27 41 25 28 29 27 42 43 30 31 44 32 45 32 46 47 48 49 50 2 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 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 40 41 42 43 44 45 46 47 48 49 50 6.3301 6.3301 7.3301 5.3301 7.3301 5.3301 5.4641 4.5981 3.732 4.5981 4.5981 6.3301 5.4641 5.4641 3.732 3.732 7.1962 6.3301 4.5981 7.1962 6.3301 2.866 2.866 5.4641 4.5981 2 2 5.4641 6.3301 6.3301 7.1962 7.1962 4.5981 4.9272 7.7331 4.0611 6.3301 7.7331 5.135 2.866 2.866 1.4631 1.4631 6.3301 6.3301 7.7331 7.7331 3.9781 4.5981 5.2181 4 6 5 5 4 4 -0.5 -5 -3.5 1 -2 3 1.5 2.5 -0.5 -1.5 2.5 1 0 1.5 5 0 -2 -3.5 -3 -0.5 -1.5 -4.5 -3 -5 -3.5 -4.5 -6 2.81 2.81 1.31 0.38 1.19 -1.69 0.62 -2.62 -0.19 -1.81 -2.38 -5.62 -3.19 -4.81 -6 -6.62 -6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 12 12 13 13 15 15 16 17 18 22 23 24 24 26 28 29 30 31 14 17 14 18 16 22 23 20 20 26 27 28 29 27 30 31 32 32 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 799 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 00000371E07B39804000000000000000000000000000000000003060C0000000000000015000001F04100000000C0C81D81232C782C0040A880225525070C20800252A10088819066CC80C263EE4F59B8431EC66F411C8E9C798C8208E00000000200A00000000000040140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[(2-methoxyphenyl)-oxomethyl]amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-methoxybenzoyl)amino]-<I>N</I>-[3-(trifluoromethylsulfonyl)phenyl]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-methoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2-methoxyphenyl)carbonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(o-anisoylamino)-N-(3-triflylphenyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H17F3N2O5S/c1-32-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)33(30,31)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HKYGEYKIJGMDPZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 478.08102731 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H17F3N2O5S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 478.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 110 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 478.08102731 33 0 0 0 0 0 0 0 1 -1