60258814 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 42 43 16 8 8 8 7 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 1 1 1 1 1 4 5 5 6 6 6 7 7 8 8 9 9 9 10 10 11 11 12 13 14 14 16 16 17 17 18 18 19 19 20 21 21 22 22 22 23 23 24 24 25 26 2 3 5 8 15 14 29 15 16 32 20 26 10 11 12 13 15 12 27 13 28 30 31 18 19 17 20 21 22 23 33 24 34 35 26 36 37 38 39 25 40 25 41 42 43 2 2 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 1 1 1 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 39 40 41 42 43 4.5981 5.5981 3.5981 5.4641 4.5981 3.732 4.5981 4.5981 4.5981 5.4641 3.732 5.4641 3.732 5.4641 4.5981 3.732 2.866 5.4641 6.3301 4.5981 2.866 2 6.3301 7.1962 7.1962 3.732 6.001 3.1951 4.0611 6.001 3.1951 3.1951 4.9272 6.3301 5.135 2.3291 2.31 1.4631 1.69 6.3301 7.7331 7.7331 3.732 2.25 2.25 2.25 -2.25 3.25 -2.25 -4.75 1.25 -0.75 0.75 0.75 -0.25 -0.25 3.75 -1.75 -3.25 -3.75 4.75 3.25 -3.75 -4.75 -3.25 5.25 3.75 4.75 -5.25 1.06 1.06 3.56 -0.56 -0.56 -1.94 5.06 2.63 -3.44 -5.06 -2.7131 -2.94 -3.7869 5.87 3.44 5.06 -5.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 9 10 11 14 14 16 16 17 18 19 21 23 24 20 26 10 11 12 13 12 13 18 19 17 20 21 23 24 26 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 561 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000C08C1DA043EC192C81002A80235775470C2803035122008D8393874D8086072C09591942108609400C8C9871888008E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methyl-3-pyridyl)-4-(phenylsulfamoyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methyl-3-pyridinyl)-4-(phenylsulfamoyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4-methylpyridin-3-yl)-4-(phenylsulfamoyl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methylpyridin-3-yl)-4-(phenylsulfamoyl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methylpyridin-3-yl)-4-(phenylsulfamoyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methyl-3-pyridyl)-4-(phenylsulfamoyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H17N3O3S/c1-14-11-12-20-13-18(14)21-19(23)15-7-9-17(10-8-15)26(24,25)22-16-5-3-2-4-6-16/h2-13,22H,1H3,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FUJSBOMHCYHBLU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.09906259 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H17N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=NC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=NC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 96.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.09906259 26 0 0 0 0 0 0 0 1 -1