45881987 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 8 8 8 7 7 7 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 6 -1 10 1 1 1 1 1 2 2 5 6 7 8 8 9 9 9 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 17 17 18 18 19 21 21 22 22 23 23 24 24 25 25 3 4 8 16 16 18 20 10 10 11 12 20 21 39 26 13 27 28 14 29 30 15 31 32 15 33 34 35 36 17 19 37 19 20 38 22 23 24 40 25 41 26 42 26 43 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 2 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 4.8198 4.5411 4.0108 5.6288 4.5981 2 3.732 5.4076 2.866 2.866 6.4021 5.0009 6.9899 5.5887 6.5832 4.232 3.232 3.732 2.923 3.732 2.866 2 3.732 2 3.732 2.866 6.2312 6.9594 4.5702 4.4869 7.4206 7.5039 5.7596 5.0314 7.1848 6.5399 2.8676 2.3334 2.3291 1.4631 4.269 1.4631 4.269 2.9081 1.1481 3.4959 2.3204 -0.9397 -5.4397 -5.4397 3.7172 -0.9397 -4.9397 3.6126 4.6307 4.4216 5.4397 5.3352 2.0991 2.0991 0.5603 1.1481 -0.4397 -1.9397 -2.4397 -2.4397 -3.4397 -3.4397 -3.9397 3.0166 3.3408 5.0767 4.284 3.9756 4.7683 6.0357 5.7115 5.4852 5.9537 2.6007 0.9565 -0.6297 -2.1297 -2.1297 -3.7497 -3.7497 8 8 8 8 8 8 8 8 8 8 8 2 2 16 17 18 21 21 22 23 24 25 16 18 17 19 19 22 23 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 615 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38004000000000000000000000000001200000003C400000000000000001C000001E0414400000080CC1D00430C582D044428900A5525372C20810252200288819CE6CCA0E2632C4B5BF873928E4D411D8E9879817020000008000000000000001000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-nitrophenyl)-5-(1-piperidylsulfonyl)furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-nitrophenyl)-5-(1-piperidinylsulfonyl)-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-nitrophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-nitrophenyl)-5-piperidin-1-ylsulfonyl-furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-nitrophenyl)-5-piperidinosulfonyl-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H17N3O6S/c20-16(17-12-4-6-13(7-5-12)19(21)22)14-8-9-15(25-14)26(23,24)18-10-2-1-3-11-18/h4-9H,1-3,10-11H2,(H,17,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DQGBKUBQVCLADG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 379.08380644 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H17N3O6S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 379.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 134 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 379.08380644 26 0 0 0 0 0 0 0 1 -1