69346100 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 16 8 8 8 7 7 7 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 4 5 5 6 6 6 7 7 8 8 8 9 9 10 10 10 11 11 12 12 13 13 14 15 17 17 18 18 19 20 20 21 21 22 22 23 23 24 2 3 5 8 16 17 33 34 13 16 35 16 19 9 10 25 11 12 26 27 28 14 29 15 30 14 15 31 32 18 19 20 21 36 22 37 23 38 24 39 24 40 41 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 8 1 9 10 25 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 6.6227 6.1227 7.1227 4.7861 7.4888 5.7567 3.9771 5.7567 5.7567 4.8907 6.6227 4.8907 5.7567 6.6227 4.8907 4.8907 3.808 3.4013 3.308 3.989 2.4067 3.5823 2 2.5878 5.7567 5.2007 4.3537 4.5807 7.1597 4.3537 7.1597 4.3537 7.4888 8.0257 6.2936 2.6914 4.6056 2.0423 3.9467 1.3834 2.3356 3.9115 4.7776 3.0455 -2.083 4.4115 -0.5885 -0.6817 3.4115 2.4115 3.9115 1.9115 1.9115 0.4115 0.9115 0.9115 -1.0885 -2.2909 -3.2044 -1.4249 -4.0135 -3.309 -4.927 -4.2225 -5.0315 4.0315 4.4485 4.2215 3.3746 2.2215 2.2215 0.6015 0.6015 5.0315 4.1015 -0.8985 -1.3601 -3.9486 -2.8074 -5.4286 -4.2873 -5.5979 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 8 9 9 11 12 13 13 17 18 18 20 21 22 23 16 17 16 19 10 11 12 14 15 14 15 19 20 21 22 23 24 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 494 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300040000000000000000000000000016000000030600000000000000001D000001E04104000000C0CC5DA04BFD492C81442A802B4777474C288293F422009D801AB6CC98E2632C0BDB98D31086CD60358E9A798C8A08E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-[(5-phenyloxazol-2-yl)amino]phenyl]ethanesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-[(5-phenyl-2-oxazolyl)amino]phenyl]ethanesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]ethanesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]ethanesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-[(5-phenyl-1,3-oxazol-2-yl)amino]phenyl]ethanesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-[(5-phenyloxazol-2-yl)amino]phenyl]ethanesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H17N3O3S/c1-12(24(18,21)22)13-7-9-15(10-8-13)20-17-19-11-16(23-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20)(H2,18,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WGIPRZIWENSNJZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.09906259 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H17N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=CC=C(C=C1)NC2=NC=C(O2)C3=CC=CC=C3)S(=O)(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=CC=C(C=C1)NC2=NC=C(O2)C3=CC=CC=C3)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 107 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 343.09906259 24 1 0 1 0 0 0 0 1 -1