60258404 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 9 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 2 5 6 6 7 7 7 8 8 9 9 10 10 10 11 12 12 13 13 14 14 15 17 17 18 18 19 20 20 21 22 22 23 23 24 24 25 25 25 26 27 3 4 6 9 19 16 14 29 16 17 33 21 27 11 12 11 13 16 28 15 30 15 31 19 20 32 18 21 22 25 23 24 34 35 27 36 26 40 26 41 37 38 39 42 43 2 2 1 1 1 2 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 6.3301 8.0622 7.3301 5.3301 3.732 6.3301 4.5981 2.866 6.3301 5.4641 5.4641 7.1962 6.3301 7.1962 7.1962 4.5981 3.732 2.866 8.0622 7.1962 3.732 2 8.9282 8.0622 2.866 8.9282 2 4.9272 5.7932 7.7331 6.3301 7.7331 5.135 6.6592 4.269 1.4631 3.486 2.866 2.246 9.4651 8.0622 9.4651 1.4631 1.5 1.5 1.5 1.5 -1 2.5 -2.5 -4.5 0.5 -1 -0 -0 -1.5 3 -1 -1.5 -3 -2.5 2.5 4 -4 -3 3 4.5 -1.5 4 -4 0.31 2.81 0.31 -2.12 -1.31 -2.81 4.31 -4.31 -2.69 -1.5 -0.88 -1.5 2.69 5.12 4.31 -4.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 10 12 13 14 14 17 17 18 19 20 22 23 24 21 27 11 12 11 13 15 15 19 20 18 21 22 23 24 27 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 610 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B31004000000000000000000000000000000000003C608000000000000001D000001F04104000000C08C1DA0C3EC192C81002A80235775470C2803035122008D8393874D8086072C09591942108609400C8C9871888008E00000080000000000000010000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-pyridyl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-pyridinyl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(2-fluorophenyl)sulfamoyl]-<I>N</I>-(4-methylpyridin-3-yl)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(2-fluorophenyl)sulfamoyl]-N-(4-methylpyridin-3-yl)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(2-fluorophenyl)sulfamoyl]-N-(4-methylpyridin-3-yl)benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-pyridyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H16FN3O3S/c1-13-9-10-21-12-18(13)22-19(24)14-5-4-6-15(11-14)27(25,26)23-17-8-3-2-7-16(17)20/h2-12,23H,1H3,(H,22,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZNTFNIFUGSNPTJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.08964072 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16FN3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 96.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.08964072 27 0 0 0 0 0 0 0 1 -1