5828196 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 16 16 8 8 8 8 8 7 7 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 2 2 3 3 6 7 8 8 9 9 9 10 10 10 11 12 12 13 13 14 14 15 16 17 17 18 18 19 20 20 21 4 5 8 12 21 23 11 17 22 23 31 32 22 23 33 11 13 14 18 15 16 15 24 16 25 26 27 19 20 19 28 29 21 30 22 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 20 17 30 21 2 22 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 4.1756 4.4727 3.3666 5.1756 3.1756 2 5.4432 4.1756 3.6636 4.1756 4.1756 4.1756 3.3096 5.0416 3.3096 5.0416 3.6756 4.9846 4.6756 3.0878 3.4945 2.9945 4.5772 2.7726 5.5785 2.7726 5.5785 5.5742 5.04 2.4712 4.7125 3.6386 3.5348 4.0835 -3.3858 -0.5043 4.0835 4.0835 -4.1485 -4.8803 5.0835 -4.7871 1.0835 0.0835 3.0835 1.5835 1.5835 2.5835 2.5835 -1.4553 -0.5043 -1.4553 -2.2644 -3.1779 -4.0439 -4.3803 1.2735 1.2735 2.8935 2.8935 -0.3127 -1.9569 -2.1995 5.3935 5.3935 -5.3935 8 8 8 8 8 8 8 8 8 8 8 3 3 10 10 11 12 12 13 14 17 18 11 17 13 14 18 15 16 15 16 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 632 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073380060000000000000000000000000016240000030000000000000000001C000001E04104000000C0481D800300582C0044A8802A1521070C208106420100888190608C80C263284351A823920A4C43108A98788C8F08E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-[(Z)-(2,4-dioxothiazolidin-5-ylidene)methyl]-2-furyl]benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-[(Z)-(2,4-dioxo-5-thiazolidinylidene)methyl]-2-furanyl]benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-[(<I>Z</I>)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-[(Z)-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-[(Z)-(2,4-diketothiazolidin-5-ylidene)methyl]-2-furyl]benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JNPRTUHVCHGFHJ-GHXNOFRVSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 350.00311377 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H10N2O5S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 350.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=O)S3)S(=O)(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 153 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 350.00311377 23 0 0 0 1 1 0 0 1 -1