27990728 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 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 1 1 4 4 5 6 6 6 7 7 8 8 9 9 10 11 11 12 13 13 13 14 14 14 16 16 16 17 18 18 19 19 20 20 21 22 22 23 23 24 24 25 25 26 26 27 2 3 7 16 17 22 15 8 15 31 10 11 9 10 12 13 28 12 29 30 32 33 34 15 17 18 35 36 37 19 20 38 21 39 21 40 41 23 24 25 42 26 43 27 44 27 45 46 2 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 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 44 45 46 2.866 3.366 2.366 5.4641 2.866 4.5981 3.732 4.5981 5.4641 3.732 4.5981 5.4641 6.3301 3.732 3.732 2 4.5981 2.866 4.5981 2.866 3.732 6.3301 7.1962 6.3301 8.0622 7.1962 8.0622 3.1951 4.5981 6.001 5.135 6.6401 6.8671 6.0201 1.69 1.4631 2.31 2.3291 5.135 2.3291 3.732 7.1962 5.7932 8.5991 7.1962 8.5991 -2.817 -3.683 -1.951 1.683 0.183 0.183 -2.317 -0.817 -1.317 -1.317 -2.817 -2.317 -0.817 1.683 0.683 -3.317 2.183 2.183 3.183 3.183 3.683 2.183 1.683 3.183 2.183 3.683 3.183 -1.007 -3.437 -2.627 0.493 -1.3539 -0.507 -0.2801 -2.78 -3.627 -3.8539 1.873 3.493 3.493 4.303 1.063 3.493 1.873 4.303 3.493 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 11 14 14 17 18 19 20 22 22 23 24 25 26 10 11 9 10 12 12 17 18 19 20 21 21 23 24 25 26 27 27 0 Compound Canonicalized 5 2009.05.18 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 594 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A38004000000000000000000000000000000000003060C0000000000000015000001E04100000000C0C81D800B2C782C0040A880225525070C20800252A10088819066CC80C2636E4B59B86396CE6F411C8E98798C8208E10000000200A00002000000040140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-methyl-5-methylsulfonyl-phenyl)-2-phenoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-methyl-5-methylsulfonylphenyl)-2-phenoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-methyl-5-methylsulfonylphenyl)-2-phenoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-methyl-5-methylsulfonylphenyl)-2-phenoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-methyl-5-methylsulfonyl-phenyl)-2-phenoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(5-mesyl-2-methyl-phenyl)-2-phenoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H19NO4S/c1-15-12-13-17(27(2,24)25)14-19(15)22-21(23)18-10-6-7-11-20(18)26-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,22,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ULROLFRBNUCWRY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.10347926 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H19NO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3 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 2021.05.07 381.10347926 27 0 0 0 0 0 0 0 1 -1