4470492 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 8 8 8 7 7 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 2 2 2 2 5 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 14 14 15 15 16 16 17 18 18 19 19 20 20 22 22 23 23 24 24 25 25 26 21 3 4 6 10 13 8 27 13 18 34 9 11 12 13 14 15 16 28 17 29 19 30 20 31 17 32 33 22 23 21 35 21 36 24 37 25 38 26 39 26 40 41 1 2 2 1 1 2 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 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 11.5263 8.0622 7.5622 8.5622 5.4641 7.1962 4.5981 7.1962 6.3301 8.9282 8.0622 6.3301 5.4641 8.9282 9.7942 8.0622 7.1962 3.732 9.7942 10.6603 10.6603 2.866 3.732 2 2.866 2 6.6592 8.5991 5.7932 8.3913 9.7942 8.5991 7.1962 4.5981 9.7942 11.1972 2.866 4.269 1.4631 2.866 1.4631 2.75 0.75 1.616 -0.116 0.25 0.25 -1.25 -0.75 -1.25 1.25 -1.25 -2.25 -0.75 2.25 0.75 -2.25 -2.75 -0.75 2.75 1.25 2.25 -1.25 0.25 -0.75 0.75 0.25 0.56 -0.94 -2.56 2.56 0.13 -2.56 -3.37 -1.87 3.37 0.94 -1.87 0.56 -1.06 1.37 0.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 10 10 11 12 14 15 16 18 18 19 20 22 23 24 25 9 11 12 14 15 16 17 19 20 17 22 23 21 21 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 564 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B30004400000000000000000000000000000000003060C0000000000000015000001E06104000000C0A81D82030C182C00002880225525070C200102507000888190066C808203AC1D791842188609400C8C9C71888008E00020000000200000004000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenyl)sulfonylamino]-N-phenyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenyl)sulfonylamino]-N-phenylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenyl)sulfonylamino]-<I>N</I>-phenylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenyl)sulfonylamino]-N-phenylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenyl)sulfonylamino]-N-phenyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenyl)sulfonylamino]-N-phenyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H15ClN2O3S/c20-14-10-12-16(13-11-14)26(24,25)22-18-9-5-4-8-17(18)19(23)21-15-6-2-1-3-7-15/h1-13,22H,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XEAAFNSXKDSVOV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 386.0491912 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H15ClN2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 386.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NS(=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=CC=CC=C2NS(=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 83.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 386.0491912 26 0 0 0 0 0 0 0 1 -1