2767048 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 17 16 16 8 8 8 7 7 7 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 2 2 2 2 3 3 6 7 7 7 8 8 10 10 11 12 13 13 14 14 16 16 17 17 18 18 20 20 21 21 22 22 23 23 24 19 4 5 10 11 9 11 15 15 18 29 9 12 13 14 12 15 16 25 17 26 19 27 19 28 20 21 22 30 23 31 24 32 24 33 34 1 2 2 1 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 2 1 2 1 1 1 2 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 3 3 2.191 4 2 4.968 5.5032 3.5 2.5 3 3 3.809 2.134 3.866 4.7601 2.134 3.866 6.4543 3 7.1974 6.6622 8.1485 7.6132 8.3564 1.597 4.403 1.597 4.403 5.3743 7.0685 6.2014 8.6092 7.7422 8.946 -3.2772 0.7228 2.3106 0.7228 0.7228 1.0234 2.6707 3.2617 3.2617 -0.2772 1.7228 2.3106 -0.7772 -0.7772 2.0016 -1.7772 -1.7772 2.3617 -2.2772 3.0308 1.3836 2.7218 1.0745 1.7437 -0.4672 -0.4672 -2.0872 -2.0872 3.2772 3.6373 0.9687 3.1367 0.4681 1.5521 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 8 8 10 10 11 13 14 16 17 18 18 20 21 22 23 9 11 9 12 13 14 12 16 17 19 19 20 21 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 541 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 00000371C073300064000000000000000000000000016000000030600000000000000001D000001E0618400000080A81D62030C192C0000AAE0125725070C22510270F1018881D8066C8086022E19391942008609400E8C8071000000000020000000000000004000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)sulfonyl-N-phenyl-thiadiazole-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)sulfonyl-N-phenyl-4-thiadiazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)sulfonyl-<I>N</I>-phenylthiadiazole-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)sulfonyl-N-phenylthiadiazole-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)sulfonyl-N-phenyl-1,2,3-thiadiazole-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-chlorophenyl)sulfonyl-N-phenyl-thiadiazole-4-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H10ClN3O3S2/c16-10-6-8-12(9-7-10)24(21,22)15-13(18-19-23-15)14(20)17-11-4-2-1-3-5-11/h1-9H,(H,17,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WBGBOQGUFPAFOW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.9852112 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H10ClN3O3S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 379.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)C2=C(SN=N2)S(=O)(=O)C3=CC=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)C2=C(SN=N2)S(=O)(=O)C3=CC=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 126 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.9852112 24 0 0 0 0 0 0 0 1 -1