5680788 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 16 16 8 8 8 8 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 2 2 3 6 6 7 7 7 8 9 9 9 10 10 11 12 12 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 23 24 24 25 25 27 27 28 4 5 8 20 20 28 13 26 42 12 17 32 11 10 11 15 13 16 14 13 14 29 18 30 19 31 21 22 19 33 34 23 24 35 25 36 27 37 26 38 26 39 28 40 41 2 2 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 8 -1 1 11 14 9 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 8.5991 9.5697 7.7331 8.0991 9.0991 2.5369 6.001 7.7331 8.5991 8.5991 7.7331 6.8671 7.7331 6.8671 9.4931 9.4931 5.135 10.3991 10.3991 9.4651 4.269 5.135 10.3787 3.403 4.269 3.403 11.0478 10.5478 6.3301 9.4859 9.4859 6.001 10.9349 10.9349 4.269 5.672 10.5076 2.866 4.269 11.6644 10.8 2 -1.3988 -2.8933 3.1012 -2.2648 -0.5328 0.1012 2.1012 -0.8988 0.6012 1.6012 0.1012 1.6012 2.1012 0.6012 0.0666 2.1359 1.6012 0.5804 1.622 -1.8988 2.1012 0.6012 -1.4921 1.6012 0.1012 0.6012 -2.2352 -3.1012 0.2912 -0.5534 2.7558 2.7212 0.2683 1.9341 2.7212 0.2912 -0.8856 1.9112 -0.5188 -2.1704 -3.6676 0.4112 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 9 9 10 15 16 17 17 18 20 21 22 23 24 25 27 20 28 10 15 16 18 19 21 22 19 23 24 25 27 26 26 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 764 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B380060000000000000000000000000012000000030608000000000000081D000001E04104800000C0C85D800B0C782C0020AAC03A4724070C30190252A10488819B66CD80826B2E295B384710864D011E8D987B8C8808E80400000001000000080000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NZ)-N-[3-(4-hydroxyanilino)-4-oxo-1-naphthylidene]thiophene-2-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NZ)-N-[3-(4-hydroxyanilino)-4-oxo-1-naphthalenylidene]-2-thiophenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>N</I><I>Z</I>)-<I>N</I>-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NZ)-N-[3-(4-hydroxyanilino)-4-oxonaphthalen-1-ylidene]thiophene-2-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NZ)-N-[3-[(4-hydroxyphenyl)amino]-4-oxidanylidene-naphthalen-1-ylidene]thiophene-2-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (NZ)-N-[3-(4-hydroxyanilino)-4-keto-1-naphthylidene]thiophene-2-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H14N2O4S2/c23-14-9-7-13(8-10-14)21-18-12-17(15-4-1-2-5-16(15)20(18)24)22-28(25,26)19-6-3-11-27-19/h1-12,21,23H/b22-17- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YXKCWSSSTBYFQS-XLNRJJMWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 410.03949928 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H14N2O4S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 410.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=NS(=O)(=O)C3=CC=CS3)C=C(C2=O)NC4=CC=C(C=C4)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)/C(=N\S(=O)(=O)C3=CC=CS3)/C=C(C2=O)NC4=CC=C(C=C4)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 132 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 410.03949928 28 0 0 0 1 1 0 0 1 -1