54681790 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 44 45 46 47 17 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 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 5 8 8 8 9 9 9 10 11 11 12 12 12 13 13 14 15 15 16 16 16 18 18 19 19 21 21 21 22 22 23 24 24 25 25 26 26 27 27 28 28 29 6 7 10 24 17 43 14 20 11 12 14 10 20 41 42 13 18 16 30 31 17 19 15 17 20 21 32 33 22 34 23 35 36 37 38 23 39 40 25 26 27 44 28 45 29 46 29 47 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 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 44 45 46 47 12.4603 8.9962 4.666 6.3981 6.3981 9.4962 8.4962 4.666 7.2641 8.1301 3.8 4.666 3.8 5.5321 5.5321 5.5321 4.666 2.9061 2.9061 6.3981 5.5321 2 2 9.8622 9.8622 10.7282 10.7282 11.5942 11.5942 4.0555 4.454 6.1426 5.7441 2.9132 2.9132 4.9121 5.5321 6.1521 1.4643 1.4643 7.2641 8.1301 4.1291 9.3252 10.7282 10.7282 12.1312 -0.905 1.095 2.595 -0.405 2.595 1.961 0.229 -0.405 1.095 1.595 0.095 -1.405 1.095 0.095 1.095 -1.905 1.595 -0.4397 1.6297 1.595 -2.905 0.0742 1.1158 0.595 -0.405 1.095 -0.905 0.595 -0.405 -1.2973 -1.9876 -2.0127 -1.3224 -1.0596 2.2496 -2.905 -3.525 -2.905 -0.2379 1.4279 0.475 2.215 2.905 -0.715 1.715 -1.525 0.905 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 11 11 13 13 14 15 18 19 22 24 24 25 26 27 28 11 14 13 18 17 19 15 17 22 23 23 25 26 27 28 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 771 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3800440000000000000000000000000000000000306080000000000000814000001E06184800000C0EC1D82432C183620202880225525070C200102127021AA819086EC808262AC9D39184700866C601C8D90790C0200E00020000000200000004000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-1-propyl-quinoline-3-carbohydrazide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-1-propyl-3-quinolinecarbohydrazide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>&apos;-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(4-chlorophenyl)sulfonyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(4-chlorophenyl)sulfonyl-4-oxidanyl-2-oxidanylidene-1-propyl-quinoline-3-carbohydrazide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-(4-chlorophenyl)sulfonyl-4-hydroxy-2-keto-1-propyl-quinoline-3-carbohydrazide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H18ClN3O5S/c1-2-11-23-15-6-4-3-5-14(15)17(24)16(19(23)26)18(25)21-22-29(27,28)13-9-7-12(20)8-10-13/h3-10,22,24H,2,11H2,1H3,(H,21,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DNUWZBXKTSBDPU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 435.0655696 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H18ClN3O5S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 435.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)Cl)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 124 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 435.0655696 29 0 0 0 0 0 0 0 1 7