3712981 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 7 7 7 8 8 8 9 9 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 21 21 22 22 23 23 24 25 25 26 27 28 28 28 2 3 5 12 27 8 9 10 25 20 27 46 10 11 29 13 14 17 30 31 32 15 16 21 33 22 34 18 35 19 36 23 37 20 38 20 39 24 40 24 41 26 42 43 26 44 45 28 47 48 49 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 8 5 10 11 29 3 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 3.732 4.732 2.732 2 3.732 2 3.732 2.866 4.5981 2.866 2 3.732 4.5981 5.4641 4.5981 2.866 3.732 4.5981 2.866 3.732 5.4641 6.3301 3.732 6.3301 2 2.866 2.866 2.866 2.866 1.69 1.4631 2.31 4.0611 5.4641 5.135 2.3291 4.269 5.135 2.3291 5.4641 6.8671 4.269 6.8671 1.4631 2.866 4.269 2.246 2.866 3.486 0.5 0.5 0.5 -3.5 1.5 3.5 -3.5 2 2 3 1.5 -0.5 3 1.5 -1 -1 3.5 -2 -2 -2.5 3.5 2 4.5 3 4.5 5 -4 -5 1.38 2.0369 1.19 0.9631 3.31 0.88 -0.69 -0.69 3.19 -2.31 -2.31 4.12 1.69 4.81 3.31 4.81 5.62 -3.81 -5 -5.62 -5 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 9 9 10 12 12 13 14 15 16 17 18 19 21 22 23 25 10 25 11 13 14 17 15 16 21 22 18 19 23 20 20 24 24 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 605 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000828C1D6043EC192C81002A80135775470C2803031022008D8383864980860E2C09191942008609400C8C8071080000000040000000000000008000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[phenyl-[1-(2-pyridyl)ethyl]sulfamoyl]phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[phenyl-[1-(2-pyridinyl)ethyl]sulfamoyl]phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-[phenyl(1-pyridin-2-ylethyl)sulfamoyl]phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[phenyl(1-pyridin-2-ylethyl)sulfamoyl]phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[phenyl(1-pyridin-2-ylethyl)sulfamoyl]phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[phenyl-[1-(2-pyridyl)ethyl]sulfamoyl]phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H21N3O3S/c1-16(21-10-6-7-15-22-21)24(19-8-4-3-5-9-19)28(26,27)20-13-11-18(12-14-20)23-17(2)25/h3-16H,1-2H3,(H,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GQLIRXAGDGRPKD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 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 2021.05.07 C21H21N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=CC=CC=N1)N(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=CC=CC=N1)N(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C 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 2021.05.07 395.13036271 28 1 0 1 0 0 0 0 1 -1