24982676 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 17 16 16 9 8 8 8 8 7 7 7 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 2 2 2 2 3 3 4 7 7 8 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 19 19 21 21 22 23 23 24 24 25 25 27 27 28 22 5 6 9 12 20 27 26 19 21 18 20 33 13 18 34 20 28 14 15 16 17 16 29 17 30 31 32 19 35 36 22 23 24 25 37 26 38 26 39 28 40 41 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 2 1 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 39 40 41 2 5.4641 7.2437 3.732 6.4641 4.4641 3.732 3.732 5.4641 5.4641 6.4347 5.4641 5.4641 4.5981 6.3301 4.5981 6.3301 4.5981 4.5981 6.3301 3.732 2.866 4.5981 2.866 4.5981 3.732 7.9128 7.4128 4.0611 6.8671 4.0611 6.8671 4.9272 6.001 4.8101 5.2087 5.135 2.3291 5.135 8.5294 7.665 -3.3512 3.6488 4.742 -6.3512 3.6488 3.6488 -2.3512 -0.3512 4.6488 -0.3512 6.1433 2.6488 0.6488 2.1488 2.1488 1.1488 1.1488 -0.8512 -1.8512 5.1488 -3.3512 -3.8512 -3.8512 -4.8512 -4.8512 -5.3512 5.4852 6.3512 2.4588 2.4588 0.8388 0.8388 4.9588 -0.6612 -2.4338 -1.7436 -3.5412 -5.1612 -5.1612 5.4204 6.9176 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 11 11 12 12 13 13 14 15 21 21 22 23 24 25 27 20 27 20 28 14 15 16 17 16 17 22 23 24 25 26 26 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 628 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B390064000000000000000000000000016000000030600000000000000001D000001F0610400000080EE5D22EBDD792C8140AAC0035777472C2F8B9712F7948C81C5E6F888E2623C5B39F873828E4D413D8E8279040000000040000000008000008000000001000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-chloro-4-fluoro-phenoxy)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-chloro-4-fluorophenoxy)-N-[4-(2-thiazolylsulfamoyl)phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-chloro-4-fluorophenoxy)-<I>N</I>-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-chloro-4-fluorophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-chloranyl-4-fluoranyl-phenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-chloro-4-fluoro-phenoxy)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H13ClFN3O4S2/c18-14-9-11(19)1-6-15(14)26-10-16(23)21-12-2-4-13(5-3-12)28(24,25)22-17-20-7-8-27-17/h1-9H,10H2,(H,20,22)(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OTNBQAHBWJOVLR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 441.0020041 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H13ClFN3O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 441.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)F)Cl)S(=O)(=O)NC3=NC=CS3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)F)Cl)S(=O)(=O)NC3=NC=CS3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 134 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 441.0020041 28 0 0 0 0 0 0 0 1 -1