60258405 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 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 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 10 10 11 11 12 12 12 13 13 14 14 15 15 16 16 17 18 18 18 19 20 22 22 23 23 23 24 24 25 26 26 27 27 27 28 2 3 5 8 21 9 12 21 22 40 25 28 10 13 14 15 11 29 16 21 30 31 32 17 33 19 34 20 35 17 36 37 19 20 23 38 39 24 25 41 42 43 26 27 44 28 45 46 47 48 49 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 1 1 2 1 2 1 1 2 1 1 1 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 47 48 49 6.3301 7.3301 5.3301 3.732 6.3301 4.5981 2.866 6.3301 7.1962 5.4641 5.4641 5.4641 7.1962 8.0622 7.1962 6.3301 7.1962 8.9282 8.9282 8.0622 4.5981 3.732 9.7942 2.866 3.732 2 2.866 2 4.9272 5.7741 4.9272 5.1541 7.7331 8.0622 6.6592 6.3301 7.7331 9.4651 8.0622 5.135 10.1042 10.3312 9.4842 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 3 -0 2.5 4 -1.5 -1 4 3 4.5 -1.5 -3 4.5 -2.5 -4 -3 -1.5 -4 0.31 3.5369 3.31 2.4631 0.31 1.88 4.31 -2.12 -1.31 2.69 5.12 -2.81 3.9631 4.81 5.0369 -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 13 14 15 16 18 18 22 22 24 26 25 28 10 13 14 15 11 16 17 19 20 17 19 20 24 25 26 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 625 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000C08C1DA043EC192C81002A80235775470C2803035122008D8393874D8086072C09591942108609400C8C9871888008E08000080000000001000010000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[methyl(p-tolyl)sulfamoyl]-N-(4-methyl-3-pyridyl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-methyl-3-pyridinyl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[methyl-(4-methylphenyl)sulfamoyl]-<I>N</I>-(4-methylpyridin-3-yl)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-methylpyridin-3-yl)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-methylpyridin-3-yl)benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[methyl(p-tolyl)sulfamoyl]-N-(4-methyl-3-pyridyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H21N3O3S/c1-15-7-9-18(10-8-15)24(3)28(26,27)19-6-4-5-17(13-19)21(25)23-20-14-22-12-11-16(20)2/h4-14H,1-3H3,(H,23,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZFGLWZRUGGUFOG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.13036271 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H21N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CN=C3)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CN=C3)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.13036271 28 0 0 0 0 0 0 0 1 -1