1088439 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 17 16 8 8 7 7 7 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 5 5 6 6 7 7 7 8 8 9 11 11 12 12 13 13 14 14 15 15 16 16 17 18 18 19 19 20 3 4 5 11 8 10 9 10 10 27 28 9 12 13 14 15 16 21 17 22 18 23 19 24 17 25 26 20 29 20 30 1 2 2 1 1 1 1 1 2 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 2 1 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 6.2316 4.9889 5.9394 4.0384 4.6783 4.6783 6.2619 3.732 3.732 5.2619 5.2996 2.866 2.866 4.6318 6.2781 2 2 4.9424 6.5888 5.9209 2.866 2.866 4.0251 6.6922 1.4631 1.4631 6.5719 6.5719 4.5284 7.1954 3.2787 -0.5234 -0.8341 -0.2128 -1.4739 -3.0834 -2.2787 -1.7787 -2.7787 -2.2787 0.4271 -1.2787 -3.2787 1.1714 0.6333 -1.7787 -2.7787 2.1219 1.5838 2.3282 -0.6587 -3.8987 1.0436 0.1719 -1.4687 -3.0887 -2.8156 -1.7417 2.5834 1.7117 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 8 8 9 11 11 12 13 14 15 16 18 19 8 10 9 10 9 12 13 14 15 16 17 18 19 17 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 445 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073300044000000000000000000000000016000000030600000000000005801F400001C0610400000080A81562031D1B6481002A00124626470C2803D2117A00998383076988868A2C19B9194200868800248C8271000000000020000000000200004000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H10ClN3O2S/c14-9-5-7-10(8-6-9)20(18,19)17-12-4-2-1-3-11(12)16-13(17)15/h1-8H,(H2,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WICYGIZRSNWVJD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 307.0182254 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H10ClN3O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 307.76 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=C(C=C3)Cl)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=C(C=C3)Cl)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 86.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 307.0182254 20 0 0 0 0 0 0 0 1 -1