54695988 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 16 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 2 2 3 4 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 14 14 15 18 18 19 19 20 20 21 21 22 22 23 24 24 25 5 6 9 15 13 36 16 17 12 16 26 14 17 27 37 38 12 13 18 13 16 17 19 15 20 21 22 28 23 29 24 30 25 31 23 32 33 25 34 35 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 2 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 8.9962 4.666 6.3981 6.3981 8.9962 7.9962 4.666 7.2641 9.9962 3.8 5.5321 3.8 4.666 8.1301 8.9962 5.5321 6.3981 2.9061 2.9061 8.1301 9.8622 2 2 8.9962 9.8622 4.666 7.2641 2.9132 2.9132 7.5932 10.3991 1.4643 1.4643 8.9962 10.3991 4.1291 10.3062 10.3062 -0.94 1.56 -1.44 1.56 -1.94 -0.94 -1.44 0.06 -0.94 0.06 0.06 -0.94 0.56 0.56 0.06 -0.94 0.56 0.5947 -1.4747 1.56 0.56 0.0808 -0.9608 2.06 1.56 -2.06 -0.56 1.2146 -2.0946 1.87 0.25 0.3929 -1.2729 2.68 1.87 1.87 -1.4769 -0.4031 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 10 10 10 11 11 12 14 14 15 18 19 20 21 22 24 12 16 12 13 18 13 16 19 15 20 21 22 23 24 25 23 25 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 697 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B3800400000000000000000000000000000000000306080000000000000814000001E04104800000C0C81D80030C182C00202880225525070C2001021220008881D006CC808262AC8D19184700866D401C8D90790C0200E00000000000201000000000000040200000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)-1H-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)-1H-quinoline-3-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-oxo-<I>N</I>-(2-sulfamoylphenyl)-1<I>H</I>-quinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)-1H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-oxidanyl-2-oxidanylidene-N-(2-sulfamoylphenyl)-1H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-keto-N-(2-sulfamoylphenyl)-1H-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H13N3O5S/c17-25(23,24)12-8-4-3-7-11(12)19-16(22)13-14(20)9-5-1-2-6-10(9)18-15(13)21/h1-8H,(H,19,22)(H2,17,23,24)(H2,18,20,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UTDJYUIKFCXQTE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.05759170 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H13N3O5S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NC3=CC=CC=C3S(=O)(=O)N)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NC3=CC=CC=C3S(=O)(=O)N)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 147 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.05759170 25 0 0 0 0 0 0 0 1 -1