70789519 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 48 49 50 17 16 16 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 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 6 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 16 17 17 18 19 21 21 23 23 23 25 25 26 26 27 28 28 29 29 30 30 31 31 32 22 4 5 7 10 24 27 20 11 33 20 24 41 24 25 13 14 12 15 17 20 18 34 19 35 21 36 18 19 23 22 37 38 39 22 40 42 43 44 26 27 28 29 45 30 46 31 47 32 48 32 49 50 1 2 2 1 1 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 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 48 49 50 10.0303 10.8964 6.4617 10.3964 11.3964 8.2983 10.0303 7.4323 5.6527 11.7624 10.0303 9.1643 11.7624 12.6284 10.8964 13.4944 9.1643 12.6284 13.4944 8.2983 10.8964 10.0303 14.3605 6.5662 4.9836 3.989 5.4836 3.4013 3.5823 2.4067 2.5878 2 9.4934 11.2255 12.6284 11.4333 8.6274 12.6284 14.0314 11.4333 7.4323 14.6705 14.8974 14.0505 5.2314 3.6534 3.9467 2.0423 2.3356 1.3834 -3.25 1.25 0.7445 2.116 0.384 0.75 0.75 -0.75 -0.6567 1.75 -0.25 -0.75 2.75 1.25 -0.75 2.75 -1.75 3.25 1.75 -0.25 -1.75 -2.25 3.25 -0.25 0.0864 -0.0181 0.9524 0.7909 -0.9317 0.6864 -1.0362 -0.2272 1.06 3.06 0.63 -0.44 -2.06 3.87 1.44 -2.06 -1.37 2.7131 3.56 3.7869 1.5188 1.3573 -1.4333 1.188 -1.6026 -0.292 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 9 9 10 10 11 11 12 13 14 15 16 16 17 21 25 26 26 28 29 30 31 24 27 24 25 13 14 12 15 17 18 19 21 18 19 22 22 27 28 29 30 31 32 32 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 733 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30006400000000000000000000000001600000003060C000000000000001D400001E06104000000C0A85DE20B3D192C8100AAC0325727470C2F0B9650F3909883D3066D88820BAA1DF9184218868910208C9E71888808E10004020000200002000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-N-(4-phenylthiazol-2-yl)-2-(p-tolylsulfonylamino)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-2-thiazolyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-2-[(4-methylphenyl)sulfonylamino]-<I>N</I>-(4-phenyl-1,3-thiazol-2-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloranyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-N-(4-phenylthiazol-2-yl)-2-(tosylamino)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H18ClN3O3S2/c1-15-7-10-18(11-8-15)32(29,30)27-20-12-9-17(24)13-19(20)22(28)26-23-25-21(14-31-23)16-5-3-2-4-6-16/h2-14,27H,1H3,(H,25,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LJHBVZCVLZCGEX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 483.0478115 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H18ClN3O3S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 484.0 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 125 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 483.0478115 32 0 0 0 0 0 0 0 1 -1