60600000 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 17 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 6 7 7 8 8 8 9 9 10 10 11 12 12 12 12 13 13 13 14 14 16 16 17 17 18 19 19 21 22 22 23 23 24 24 25 25 26 27 27 28 28 29 20 4 5 7 14 21 15 10 32 11 15 35 18 28 11 16 17 13 15 30 31 18 33 34 21 22 19 36 20 37 23 20 38 24 25 39 27 40 26 41 26 42 43 29 44 29 45 46 1 2 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 1 1 2 1 1 1 1 1 1 2 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 8.9282 9.7942 11.5263 9.2942 10.2942 6.3301 8.9282 7.1962 3.732 8.9282 8.0622 5.4641 4.5981 10.6603 6.3301 9.7942 8.0622 3.732 9.7942 8.9282 11.5263 10.6603 2.866 12.3923 11.5263 12.3923 2 2.866 2 5.8626 5.0656 8.3913 4.1996 4.9966 7.1962 10.3312 7.5252 10.3312 10.1233 2.866 12.9292 11.5263 12.9292 1.4631 2.866 1.4631 -3.25 1.25 0.25 2.116 0.384 -1.75 0.75 -0.25 0.75 -0.25 -0.75 -0.25 -0.75 1.75 -0.75 -0.75 -1.75 -0.25 -1.75 -2.25 1.25 2.75 -0.75 1.75 3.25 2.75 -0.25 1.25 0.75 0.2249 0.2249 1.06 -1.225 -1.225 0.37 -0.44 -2.06 -2.06 3.06 -1.37 1.44 3.87 3.06 -0.56 1.87 1.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 10 11 14 14 16 17 18 19 21 22 23 24 25 27 28 18 28 11 16 17 21 22 19 20 23 20 24 25 27 26 26 29 29 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 645 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B31004400000000000000000000000000000000003C608000000000000001D000001F0610400000080AC1D62C3CC192C81002A80135775470C2803031072008D8393876980860F2C19391942008609400C8C8071C88808000004000020000200000800004000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(2-pyridyl)propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(2-pyridinyl)propanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-pyridin-2-ylpropanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-pyridin-2-ylpropanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[5-chloranyl-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-pyridin-2-yl-propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(2-pyridyl)propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H17ClFN3O3S/c21-14-8-10-17(25-29(27,28)19-7-2-1-6-16(19)22)18(13-14)24-20(26)11-9-15-5-3-4-12-23-15/h1-8,10,12-13,25H,9,11H2,(H,24,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FJWDDTVMXWXEBP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 433.0663184 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H17ClFN3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 433.9 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)F)S(=O)(=O)NC2=C(C=C(C=C2)Cl)NC(=O)CCC3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)F)S(=O)(=O)NC2=C(C=C(C=C2)Cl)NC(=O)CCC3=CC=CC=N3 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 2021.05.07 433.0663184 29 0 0 0 0 0 0 0 1 -1