45269893 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 16 9 8 8 8 8 7 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 3 3 4 7 7 8 8 8 9 9 9 10 12 12 13 13 14 14 15 16 16 17 17 17 18 19 19 20 20 21 21 22 5 6 7 17 18 10 16 11 11 27 9 10 12 11 23 24 13 14 25 15 26 15 28 29 18 19 30 31 32 20 21 33 22 34 22 35 36 2 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 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 2.866 8.9282 7.1962 4.5981 2.366 3.366 3.732 6.3301 5.4641 7.1962 4.5981 6.3301 8.0622 7.1962 8.0622 8.0622 2 8.9282 8.0622 9.7942 8.9282 9.7942 5.8626 5.0656 5.7932 8.5991 3.732 7.1962 8.5991 1.69 1.4631 2.31 7.5252 10.3312 8.9282 10.3312 -1 -0.5 0.5 -2 -0.134 -1.866 -0.5 -1 -0.5 -0.5 -1 -2 -1 -2.5 -2 1 -1.5 0.5 2 1 2.5 2 -0.0251 -0.0251 -2.31 -0.69 0.12 -3.12 -2.31 -0.9631 -1.81 -2.0369 2.31 0.69 3.12 2.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 12 13 14 16 16 18 19 20 21 10 12 13 14 15 15 18 19 20 21 22 22 0 Compound Canonicalized 5 2010.04.19 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 476 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 00000371C0723900400000000000000000000000000000000000306000000000000000014000001F04104000000C04819808B206804004028802215210700208002020000888010608880C263284B51B823820A4D01108A807BAC8A08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonyl-acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluorophenoxy)phenyl]-<I>N</I>-methylsulfonylacetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluorophenoxy)phenyl]-N-methylsulfonylacetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluoranylphenoxy)phenyl]-N-methylsulfonyl-ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(2-fluorophenoxy)phenyl]-N-mesyl-acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H14FNO4S/c1-22(19,20)17-15(18)10-11-6-2-4-8-13(11)21-14-9-5-3-7-12(14)16/h2-9H,10H2,1H3,(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SGDMCGKLCOGZJM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.06275726 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H14FNO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CS(=O)(=O)NC(=O)CC1=CC=CC=C1OC2=CC=CC=C2F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CS(=O)(=O)NC(=O)CC1=CC=CC=C1OC2=CC=CC=C2F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 80.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.06275726 22 0 0 0 0 0 0 0 1 -1