60421690 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 47 48 49 50 51 52 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 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 1 1 1 1 4 5 5 6 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 14 15 15 16 16 17 17 18 19 19 19 21 21 21 22 22 23 23 24 25 26 26 27 27 28 28 29 2 3 5 8 20 9 10 19 20 45 24 28 11 13 14 30 31 15 16 12 32 17 20 18 33 34 35 36 22 37 23 38 18 39 42 21 40 41 24 43 44 25 46 25 47 26 48 27 49 29 50 29 51 52 2 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 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 42 43 44 45 46 47 48 49 50 51 52 7.1962 8.1962 6.1962 4.5981 7.1962 5.4641 2.866 7.1962 6.3301 8.0622 6.3301 6.3301 8.0622 6.3301 8.9282 8.0622 7.1962 8.0622 4.5981 5.4641 4.5981 9.7942 8.9282 3.732 9.7942 3.732 2.866 2 2 5.7196 6.1181 5.7932 8.5991 6.9501 6.3301 5.7101 8.9282 7.5252 7.1962 4.386 3.9875 8.5991 4.8101 5.2087 6.001 10.3312 8.9282 10.3312 4.269 2.866 1.4631 1.4631 2.25 2.25 2.25 -0.25 3.25 -1.75 -3.25 1.25 3.75 3.75 0.75 -0.25 0.75 4.75 3.25 4.75 -0.75 -0.25 -2.25 -0.75 -3.25 3.75 5.25 -3.75 4.75 -4.75 -5.25 -3.75 -4.75 3.8577 3.1674 1.06 1.06 4.75 5.37 4.75 2.63 5.06 -1.37 -1.6674 -2.3577 -0.56 -3.8326 -3.1423 -2.06 3.44 5.87 5.06 -5.06 -5.87 -3.44 -5.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 10 10 11 12 13 15 16 17 22 23 24 26 27 28 24 28 11 13 15 16 12 17 18 22 23 18 25 25 26 27 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 613 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000C08C1DE043EC192C81002A80335775470C2803035022008D8B93864D80820F2C0D591842108609600C8C9871888008E00000080000000000000010000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-pyridyl)ethyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[ethyl(phenyl)sulfamoyl]-<I>N</I>-(2-pyridin-2-ylethyl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[ethyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[ethyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-pyridyl)ethyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H23N3O3S/c1-2-25(20-11-4-3-5-12-20)29(27,28)21-13-8-9-18(17-21)22(26)24-16-14-19-10-6-7-15-23-19/h3-13,15,17H,2,14,16H2,1H3,(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BBVBXDVNQHRXMP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.14601278 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H23N3O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 87.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.14601278 29 0 0 0 0 0 0 0 1 -1