61104330 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 16 9 8 7 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 2 3 4 4 4 5 5 5 6 6 7 8 8 8 10 10 11 11 12 12 13 14 15 15 16 17 17 17 18 18 19 20 20 20 7 17 13 9 6 9 21 14 34 35 7 10 11 9 12 13 15 22 16 23 14 24 18 19 16 25 26 20 27 28 19 29 30 31 32 33 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 2 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 3.732 2.866 3.732 5.4641 6.3301 5.4641 4.5981 4.5981 4.5981 6.3301 4.5981 5.4641 3.732 5.4641 6.3301 5.4641 2.866 3.732 4.5981 2 6.001 6.8671 4.0611 6.001 6.8671 5.4641 3.2646 2.4675 3.1951 4.5981 1.69 1.4631 2.31 6.3301 6.8671 1.56 -0.94 0.56 0.56 -2.94 1.56 2.06 -0.94 0.06 2.06 3.06 -1.44 -1.44 -2.44 3.06 3.56 2.06 -2.44 -2.94 1.56 0.25 1.75 3.37 -1.13 3.37 4.18 2.5349 2.5349 -2.75 -3.56 2.0969 1.25 1.0231 -3.56 -2.63 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 8 8 10 11 12 13 14 15 18 7 10 11 12 13 15 16 14 18 19 16 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 329 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0732100400000000000000000000000000000000000306000000000000000014000001F04100000000C0885D808B2C182C00008880225525000820000250A1008881D0064C8082032E09591842108609400E8C9871C88008E00000040000001000000008000000200000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-amino-N-(2-ethylsulfanylphenyl)-2-fluoro-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-amino-N-[2-(ethylthio)phenyl]-2-fluorobenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-amino-<I>N</I>-(2-ethylsulfanylphenyl)-2-fluorobenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-amino-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-azanyl-N-(2-ethylsulfanylphenyl)-2-fluoranyl-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-amino-N-[2-(ethylthio)phenyl]-2-fluoro-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H15FN2OS/c1-2-20-14-6-4-3-5-13(14)18-15(19)11-9-10(17)7-8-12(11)16/h3-9H,2,17H2,1H3,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HUOGIXGZUSNBHJ-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 2021.05.07 290.08891244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H15FN2OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCSC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)N)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCSC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)N)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 80.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.08891244 20 0 0 0 0 0 0 0 1 -1