1006749 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 16 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 5 6 6 6 7 7 8 8 9 9 10 10 10 11 11 13 13 14 14 15 15 16 16 17 17 18 19 19 20 20 21 21 22 22 23 24 24 25 25 25 26 26 27 2 3 5 9 12 7 10 12 17 36 8 11 12 13 14 15 28 29 30 16 31 18 32 20 33 21 34 18 35 19 22 37 24 25 23 38 23 39 26 40 41 27 42 43 44 45 27 46 47 2 2 1 1 2 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 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 8.0622 7.5622 8.5622 5.4641 7.1962 4.5981 7.1962 6.3301 8.9282 6.3301 8.0622 5.4641 6.3301 9.7942 8.9282 8.0622 3.732 7.1962 3.732 10.6603 9.7942 2.866 10.6603 2.866 4.5981 2 2 6.6401 5.7932 6.0201 8.5991 5.7932 9.7942 8.3913 8.5991 4.5981 7.1962 11.1972 9.7942 2.866 11.1972 2.866 4.9081 5.135 4.2881 1.4631 1.4631 0.75 1.616 -0.116 0.25 0.25 -1.25 -0.75 -1.25 1.25 0.75 -1.25 -0.75 -2.25 0.75 2.25 -2.25 -0.75 -2.75 0.25 1.25 2.75 -1.25 2.25 0.75 0.75 -0.75 0.25 1.2869 1.06 0.2131 -0.94 -2.56 0.13 2.56 -2.56 -1.87 -3.37 0.94 3.37 -1.87 2.56 1.37 0.2131 1.06 1.2869 -1.06 0.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 9 9 11 13 14 15 16 17 17 19 20 21 22 24 26 8 11 13 14 15 16 18 20 21 18 19 22 24 23 23 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 595 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30004000000000000000000000000000000000003060C0000000000000015000001E04104000000C0881D80432C182C00002880225525070C200102502000888190864C808203AC0D591842188609400C8C9C71888008E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[benzenesulfonyl(methyl)amino]-N-(o-tolyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[benzenesulfonyl(methyl)amino]-<I>N</I>-(2-methylphenyl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[benzenesulfonyl(methyl)amino]-N-(2-methylphenyl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[besyl(methyl)amino]-N-(o-tolyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H20N2O3S/c1-16-10-6-8-14-19(16)22-21(24)18-13-7-9-15-20(18)23(2)27(25,26)17-11-4-3-5-12-17/h3-15H,1-2H3,(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WADMJVONNBFFBH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 380.11946368 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H20N2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 380.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=CC=C1NC(=O)C2=CC=CC=C2N(C)S(=O)(=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 380.11946368 27 0 0 0 0 0 0 0 1 -1