60258679 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 44 45 46 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 6 1 1 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 10 10 11 11 12 12 13 13 13 14 14 15 16 16 17 17 19 19 20 20 21 21 22 22 23 24 25 25 26 26 26 27 2 3 5 8 18 9 13 18 19 37 24 27 10 12 16 17 11 28 14 18 15 29 30 31 32 15 33 34 20 35 21 36 22 24 23 38 23 39 25 26 40 41 27 42 43 44 45 46 2 2 1 1 2 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 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 44 45 46 6.3301 7.3301 5.3301 3.732 6.3301 4.5981 2.866 6.3301 7.1962 5.4641 5.4641 7.1962 5.4641 6.3301 7.1962 7.1962 8.0622 4.5981 3.732 8.0622 8.9282 2.866 8.9282 3.732 2 2.866 2 4.9272 7.7331 5.7741 4.9272 5.1541 6.3301 7.7331 6.6592 8.0622 5.135 8.0622 9.4651 9.4651 4.269 1.4631 3.486 2.866 2.246 1.4631 1.5 1.5 1.5 -1 2.5 -2.5 -4.5 0.5 3 -0 -1 -0 3 -1.5 -1 4 2.5 -1.5 -3 4.5 3 -2.5 4 -4 -3 -1.5 -4 0.31 0.31 3.5369 3.31 2.4631 -2.12 -1.31 4.31 1.88 -2.81 5.12 2.69 4.31 -4.31 -2.69 -1.5 -0.88 -1.5 -4.31 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 12 14 16 17 19 19 20 21 22 25 24 27 10 12 16 17 11 14 15 15 20 21 22 24 23 23 25 27 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 598 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 1 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 00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000C08C1DA043EC192C81002A80235775470C2803035122008D8393874D8086072C09591942108609400C8C9871888008E00000080000000000000010000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[methyl(phenyl)sulfamoyl]-N-(4-methyl-3-pyridyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[methyl(phenyl)sulfamoyl]-N-(4-methyl-3-pyridinyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[methyl(phenyl)sulfamoyl]-<I>N</I>-(4-methylpyridin-3-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[methyl(phenyl)sulfamoyl]-N-(4-methylpyridin-3-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[methyl(phenyl)sulfamoyl]-N-(4-methylpyridin-3-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[methyl(phenyl)sulfamoyl]-N-(4-methyl-3-pyridyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H19N3O3S/c1-15-11-12-21-14-19(15)22-20(24)16-7-6-10-18(13-16)27(25,26)23(2)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KQZUGXFIEJAFCG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.11471265 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H19N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=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(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 87.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.11471265 27 0 0 0 0 0 0 0 1 -1