4143693 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 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 4 5 6 6 7 7 7 8 8 8 9 9 10 10 11 12 12 13 13 14 14 15 16 17 17 18 18 19 19 20 22 22 23 23 24 24 25 25 25 26 26 27 27 28 2 3 6 9 16 25 21 12 29 11 21 35 21 22 39 10 13 11 30 14 16 17 15 31 15 32 33 18 19 34 20 36 20 37 38 23 24 26 40 27 41 42 43 44 28 45 28 46 47 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 2 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 5.4641 6.4641 4.4641 7.1962 4.5981 5.4641 3.732 2.866 5.4641 4.5981 4.5981 6.3301 6.3301 5.4641 6.3301 7.1962 6.3301 8.0622 7.1962 8.0622 3.732 2.866 2 3.732 8.0622 2 3.732 2.866 4.9272 4.0611 6.8671 5.4641 6.8671 5.7932 3.1951 8.5991 7.1962 8.5991 2.3291 1.4631 4.269 7.7522 8.5991 8.3722 1.4631 4.269 2.866 2.25 2.25 2.25 2.25 -2.25 3.25 -0.75 -2.25 1.25 0.75 -0.25 3.75 0.75 -0.75 -0.25 3.25 4.75 3.75 5.25 4.75 -1.75 -3.25 -3.75 -3.75 1.75 -4.75 -4.75 -5.25 3.56 1.06 1.06 -1.37 -0.56 5.06 -0.44 3.44 5.87 5.06 -1.94 -3.44 -3.44 1.2131 1.44 2.2869 -5.06 -5.06 -5.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 11 12 12 13 14 16 17 18 19 22 22 23 24 26 27 10 13 11 14 16 17 15 15 18 19 20 20 23 24 26 27 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 601 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 3 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 00000371E07B38004000000000000000000000000000000000003060C0000000000000015000001E0410400000080C81D00233C782C00402880024425070C20810212200088818076C888E2622C4B19B85302C6CD41348E8279040000000000000200010000000000040002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenyl-urea IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylurea IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenyl-urea IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenyl-urea InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H19N3O4S/c1-27-19-13-6-5-12-18(19)23-28(25,26)17-11-7-10-16(14-17)22-20(24)21-15-8-3-2-4-9-15/h2-14,23H,1H3,(H2,21,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GSIUZBDRHJIEKA-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 397.10962727 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H19N3O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 397.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 105 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 397.10962727 28 0 0 0 0 0 0 0 1 -1