60159691 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 16 8 8 8 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 1 1 2 2 5 5 6 6 7 8 8 9 9 9 10 11 11 12 12 13 14 14 15 16 16 17 17 18 18 19 19 19 20 21 22 24 25 25 25 26 26 27 28 28 28 29 29 29 3 4 8 11 13 25 15 28 10 27 23 12 30 23 24 38 24 13 14 16 17 18 15 31 20 21 32 22 33 20 34 21 22 23 35 36 37 26 39 40 41 27 42 29 43 44 45 46 47 48 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 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 44 45 46 47 48 4.5981 2.866 5.5981 3.5981 6.3301 10.5109 8.9282 4.5981 8.0622 9.8418 4.5981 5.4641 3.732 5.4641 5.4641 6.3301 5.4641 3.732 7.1962 4.5981 7.1962 6.3301 8.0622 8.9282 2 9.0327 10.0109 6.3301 10.4176 4.0611 6.001 6.3301 4.9272 3.1951 4.5981 7.7331 6.3301 7.5252 1.69 1.4631 2.31 8.572 5.7101 6.3301 6.9501 10.984 10.6698 9.8512 -1.308 -2.308 -1.308 -1.308 -4.308 3.5284 1.192 -0.308 2.692 2.7853 -2.308 0.192 -2.808 -2.808 -3.808 -0.308 1.192 -3.808 1.192 -4.308 0.192 1.692 1.692 3.192 -2.808 4.1865 4.3944 -5.308 5.308 0.002 -2.498 -0.928 1.502 -4.118 -4.928 -0.118 2.312 3.002 -2.271 -3.118 -3.3449 4.6014 -5.308 -5.928 -5.308 5.0558 5.8744 5.5602 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 10 11 11 12 12 13 14 15 16 17 18 19 19 24 26 10 27 24 13 14 16 17 18 15 20 21 22 20 21 22 26 27 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 647 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380040000000000000000000000000016000000030600000000000000001D000001E04144000000C0C81DA0233F792D00402A902A7727270C2081025220029983B366CDA8C263AC4BD9B8431A866D51BC8E9C7D8C9009E09000004000020001200000800004000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methylisoxazol-3-yl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-3-isoxazolyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,5-dimethoxyphenyl)sulfonylamino]-<I>N</I>-(5-methyl-1,2-oxazol-3-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methylisoxazol-3-yl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H19N3O6S/c1-12-10-18(21-28-12)20-19(23)13-4-6-14(7-5-13)22-29(24,25)17-11-15(26-2)8-9-16(17)27-3/h4-11,22H,1-3H3,(H,20,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QIOOMHVSVIEIKJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.09945651 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H19N3O6S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 128 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.09945651 29 0 0 0 0 0 0 0 1 -1