2123690 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 49 50 51 17 16 16 8 8 8 8 8 7 7 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 1 2 2 2 2 3 3 4 4 5 5 6 6 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 17 17 18 18 20 21 21 21 22 23 23 23 24 24 24 25 25 26 26 26 27 27 28 7 8 10 22 22 28 14 15 16 21 19 23 11 12 13 18 39 14 29 30 15 31 32 16 17 33 34 35 36 20 19 37 19 20 38 24 40 41 25 26 42 43 44 45 46 27 47 48 49 50 28 51 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 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 49 50 51 9.7734 6.3301 8.1097 5.4641 7.1962 3.732 5.8301 6.8301 5.4641 5.4641 4.5981 6.3301 5.4641 4.5981 6.3301 6.3301 4.5981 5.4641 4.5981 6.3301 8.0622 7.1962 2.866 8.9282 7.3007 2 8.2788 8.7788 4.386 3.9875 6.9407 6.5422 3.9875 4.386 6.5422 6.9407 4.0611 6.8671 4.9272 8.4607 7.6636 2.4675 3.2646 8.6182 9.4651 9.2382 6.8399 2.31 1.4631 1.69 8.531 3.1307 2.3988 2.492 -4.1012 -1.1012 0.8988 3.2648 1.5328 -2.1012 1.8988 -2.6012 -2.6012 -1.1012 -3.6012 -3.6012 -0.6012 -0.6012 0.8988 0.3988 0.3988 -0.6012 2.8988 0.3988 -1.1012 3.8933 0.8988 4.1012 3.2352 -2.0186 -2.7089 -2.7089 -2.0186 -3.4936 -4.1838 -4.1838 -3.4936 -0.9112 0.7088 2.2088 -0.1263 -0.1263 -0.0762 -0.0762 -1.6382 -1.4112 -0.5643 4.3082 1.4357 1.2088 0.3618 4.6676 8 8 8 8 8 8 8 8 8 8 8 3 3 13 13 16 17 18 18 22 25 27 22 28 16 17 20 19 19 20 25 27 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 585 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38006400000000000000000000000001200000003C400000000000000001C000001E0610400000080EE1D02632C78340040A840024424070C30990212F104888180F6E880E2622E5B29B873828E6D019F8E807D050030001008002000010000201000400002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-N-(2,5-diethoxy-4-morpholino-phenyl)thiophene-2-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-thiophenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-<I>N</I>-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloranyl-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)thiophene-2-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-N-(2,5-diethoxy-4-morpholino-phenyl)thiophene-2-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H23ClN2O5S2/c1-3-25-15-12-14(21-7-9-24-10-8-21)16(26-4-2)11-13(15)20-28(22,23)18-6-5-17(19)27-18/h5-6,11-12,20H,3-4,7-10H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HSKMWGCLXVVBST-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 446.0736919 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H23ClN2O5S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 447.0 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(S2)Cl)OCC)N3CCOCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(S2)Cl)OCC)N3CCOCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 114 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 446.0736919 28 0 0 0 0 0 0 0 1 -1