213053 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 17 16 9 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 2 2 2 2 3 4 4 7 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 18 19 20 20 21 21 22 23 23 25 25 25 17 5 6 9 13 22 24 25 10 11 16 16 17 34 35 12 17 14 15 20 21 18 19 18 26 19 27 28 29 30 22 31 23 32 24 24 33 36 37 38 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 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 6.2686 7.3564 4.2294 2.7431 8.3564 6.3564 7.3564 7.8564 7.3564 6.5474 7.3564 5.5963 7.3564 6.4904 8.2224 8.1654 6.8564 6.4904 8.2224 5.3884 4.8532 4.4374 3.9021 3.6942 2 5.9534 8.7594 8.7551 5.9534 8.7594 5.8492 4.9821 3.4414 7.8933 6.8194 1.5851 1.5392 2.4149 -3.8289 2.5189 0.5055 -0.8328 2.5189 2.5189 -1.4811 -3.0199 3.5189 -2.0689 -0.4811 -1.7598 1.5189 0.0189 0.0189 -2.0689 -3.0199 1.0189 1.0189 -0.7817 -2.429 -0.4727 -2.1199 -1.1418 -1.5019 -0.2911 -0.2911 -1.8773 1.3289 1.3289 -0.3668 -3.0354 -2.5348 3.8289 3.8289 -1.0412 -1.9168 -1.9627 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 10 11 11 12 12 13 13 14 15 20 21 22 23 10 16 16 17 17 14 15 20 21 18 19 18 19 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 553 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 1 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 00000371C07B310044000000000000000000000000016000000030600000000000000001D000001F06104000000C0E81DE2E37D7970C1402A00324636470C2883D3136A009D8382E7E988C6EE2C5B99BD430286CC013C8E82790D0830E20040000000000004008000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-chloro-5-(3-fluoro-4-methoxy-phenyl)imidazol-1-yl]benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1-imidazolyl]benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-chloranyl-5-(3-fluoranyl-4-methoxy-phenyl)imidazol-1-yl]benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-chloro-5-(3-fluoro-4-methoxy-phenyl)imidazol-1-yl]benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KYXDNECMRLFQMZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 381.0350183 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H13ClFN3O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 381.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)N)Cl)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)N)Cl)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 95.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 381.0350183 25 0 0 0 0 0 0 0 1 -1