157857 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 16 16 9 9 9 9 9 9 8 8 8 8 7 6 6 1 1 1 1 1 2 2 2 2 3 4 5 6 7 8 13 11 12 13 15 9 10 13 14 15 14 14 14 15 15 16 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 3.732 5.4641 2 7.1962 6.8301 5.8301 2.366 3.366 5.9641 4.9641 3.232 4.232 4.5981 6.3301 2.866 4.5981 0.123 0.123 -0.877 -0.877 0.489 -1.243 0.489 -1.243 0.989 -0.743 0.989 -0.743 0.623 -0.377 -0.377 1.243 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 374 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 11 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371004239C06000000000000000000000000000000000000000000000000000000000000001041040000000000000100000000000020000000000700000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,1-tris(fluoranyl)-N-(trifluoromethylsulfonyl)methanesulfonamide IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,1-trifluoro-N-triflyl-methanesulfonamide InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 ZXMGHDIOOHOAAE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 1.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 280.925119 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2HF6NO4S2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 281.154059 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 97.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 280.925119 15 0 0 0 0 0 0 0 1 1