43909072 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 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 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 11 11 12 13 14 14 14 14 15 15 17 17 18 18 19 19 20 20 21 21 22 22 23 24 25 25 26 2 3 5 8 16 17 33 9 16 34 23 26 10 11 12 13 12 27 13 28 29 30 15 16 31 32 18 19 20 23 21 35 22 36 25 37 24 38 24 39 40 41 26 42 43 2 2 1 1 2 1 1 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 2 1 1 1 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 5.4641 6.4641 4.4641 3.732 5.4641 5.4641 7.1962 5.4641 5.4641 6.3301 4.5981 6.3301 4.5981 4.5981 3.732 4.5981 6.3301 3.732 2.866 7.1962 2.866 2 6.3301 2 8.0622 8.0622 6.8671 4.0611 6.8671 4.0611 4.8101 5.2087 4.9272 6.001 4.269 2.866 7.1962 2.866 1.4631 5.7932 1.4631 8.5991 8.5991 2.25 2.25 2.25 -1.75 3.25 -1.75 5.25 1.25 -0.75 0.75 0.75 -0.25 -0.25 -3.25 -3.75 -2.25 3.75 -4.75 -3.25 3.25 -5.25 -3.75 4.75 -4.75 3.75 4.75 1.06 1.06 -0.56 -0.56 -3.8326 -3.1423 3.56 -2.06 -5.06 -2.63 2.63 -5.87 -3.44 5.06 -5.06 3.44 5.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 9 10 11 15 15 17 17 18 19 20 21 22 25 23 26 10 11 12 13 12 13 18 19 20 23 21 22 25 24 24 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 547 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000C08C1DA043CC192C81002A80235775470C2803031122008D8393874980860F2C09591942008609400C8C8071888808E00040000000000000008000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-[4-(3-pyridylsulfamoyl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-[4-(3-pyridinylsulfamoyl)phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-<I>N</I>-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phenyl-N-[4-(3-pyridylsulfamoyl)phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H17N3O3S/c23-19(13-15-5-2-1-3-6-15)21-16-8-10-18(11-9-16)26(24,25)22-17-7-4-12-20-14-17/h1-12,14,22H,13H2,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ODSCYENLULAHNM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.09906259 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H17N3O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 96.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.09906259 26 0 0 0 0 0 0 0 1 -1