60635840 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 16 8 8 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 6 -1 10 1 1 1 1 1 2 2 5 6 7 8 8 8 9 9 10 11 11 12 12 13 14 14 15 15 16 17 17 19 19 20 21 3 4 9 11 17 20 18 10 10 12 18 25 29 30 20 13 14 13 15 22 16 23 16 24 26 18 19 21 27 21 28 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 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 7.082 4.3794 8.082 6.082 6.216 2 3.5823 5.35 7.082 2.9945 7.082 6.216 6.216 7.948 7.082 7.948 4.4839 5.35 3.5704 3.4013 2.9013 5.679 8.485 7.082 4.813 8.485 3.4415 2.2846 7.619 6.5451 3.0575 -2.437 3.0575 3.0575 -1.4425 -3.663 -4.3675 0.0575 4.0575 -3.5585 2.0575 0.5575 1.5575 1.5575 0.0575 0.5575 -1.4425 -0.9425 -1.0358 -2.6449 -1.7789 1.8675 1.8675 -0.5625 0.3675 0.2475 -0.4293 -1.7141 4.3675 4.3675 8 8 8 8 8 8 8 8 8 8 8 2 2 11 11 12 12 14 15 17 19 20 17 20 13 14 13 15 16 16 19 21 21 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 511 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073380040000000000000000000000000012000000030000000000000000001C000001E0414400000080C81D00030C582D044428900A5525372C208102D2200288819C66CCA0E2632C4B5BF8F392CE4D411D8E987BC17020000000000200000000000000040000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-nitro-N-(3-sulfamoylphenyl)furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-nitro-N-(3-sulfamoylphenyl)-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-nitro-<I>N</I>-(3-sulfamoylphenyl)furan-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-nitro-N-(3-sulfamoylphenyl)furan-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-nitro-N-(3-sulfamoylphenyl)furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-nitro-N-(3-sulfamoylphenyl)-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H9N3O6S/c12-21(18,19)8-3-1-2-7(6-8)13-11(15)9-4-5-10(20-9)14(16)17/h1-6H,(H,13,15)(H2,12,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OXMJGHGEGVSPIK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 311.02120619 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H9N3O6S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 311.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC=C(O2)[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC=C(O2)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 157 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 311.02120619 21 0 0 0 0 0 0 0 1 -1