60420218 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 7 7 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 1 1 1 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 11 11 12 12 12 14 15 15 16 16 17 17 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 27 2 3 6 15 13 8 13 29 11 34 10 25 10 12 28 13 14 16 19 14 17 30 31 32 33 20 21 18 35 18 36 37 22 38 23 39 24 40 26 41 27 42 27 43 26 44 46 45 2 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 8 5 10 12 28 3 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 6.3301 5.8301 6.8301 2.866 3.732 5.4641 2 2.866 4.5981 2.866 5.4641 2 3.732 4.5981 7.1962 5.4641 6.3301 6.3301 3.732 7.1962 8.0622 3.732 8.0622 8.9282 2 2.866 8.9282 2.866 4.269 2.31 1.4631 1.69 4.0611 4.9272 5.4641 6.8671 6.8671 4.269 6.6592 8.0622 4.269 8.0622 9.4651 1.4631 9.4651 2.866 3 3.866 2.134 -0 -1.5 2.5 -3.5 -2 -0 -3 1.5 -1.5 -0.5 1 3.5 -0.5 1 -0 -3.5 4.5 3 -4.5 5 3.5 -4.5 -5 4.5 -1.38 -1.81 -0.9631 -1.19 -2.0369 1.31 2.81 -1.12 1.31 -0.31 -3.19 4.81 2.38 -4.81 5.62 3.19 -4.81 4.81 -5.62 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 9 9 10 11 11 15 15 16 17 19 20 21 22 23 24 25 10 25 12 14 16 19 14 17 20 21 18 18 22 23 24 26 27 27 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 584 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000C28C1DE043EC192C81002A80335775470C2803035022008D8B93864D80860F2C09591942108609600C8C9871C88008E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(benzenesulfonamido)-N-[1-(2-pyridyl)ethyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(benzenesulfonamido)-N-[1-(2-pyridinyl)ethyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(benzenesulfonamido)-<I>N</I>-(1-pyridin-2-ylethyl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(benzenesulfonamido)-N-(1-pyridin-2-ylethyl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(phenylsulfonylamino)-N-(1-pyridin-2-ylethyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(benzenesulfonamido)-N-[1-(2-pyridyl)ethyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H19N3O3S/c1-15(19-12-5-6-13-21-19)22-20(24)16-8-7-9-17(14-16)23-27(25,26)18-10-3-2-4-11-18/h2-15,23H,1H3,(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XLGFETPJTQZJOU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.11471265 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H19N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=CC=CC=N1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=CC=CC=N1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 96.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.11471265 27 1 0 1 0 0 0 0 1 -1