10986786 1 2 3 4 5 6 7 8 9 10 16 9 9 9 8 8 7 7 7 6 8 1 9 -1 1 1 1 1 2 3 4 7 8 5 6 7 10 10 10 10 8 9 2 2 1 1 1 1 1 2 2 7 -1 1 8 -1 9 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 4.5981 6.3301 4.9641 5.9641 4.0981 5.0981 3.732 2.866 2 5.4641 -0.25 0.75 1.116 -0.616 0.616 -1.116 -0.75 -0.25 0.25 0.25 1 7 8 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 253 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000331804000000000000000000000000000000000000000000000000000000000000001040840000000000000100000000000020200000000700000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-diazo-1,1,1-trifluoro-methanesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-diazo-1,1,1-trifluoromethanesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-diazo-1,1,1-trifluoromethanesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-diazo-1,1,1-trifluoromethanesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-diazo-1,1,1-tris(fluoranyl)methanesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-diazo-1,1,1-trifluoro-methanesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CF3N3O2S/c2-1(3,4)10(8,9)7-6-5 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NQPHMXWPDCSHTE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 174.96633191 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CF3N3O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 175.09 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(F)(F)(F)S(=O)(=O)N=[N+]=[N-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(F)(F)(F)S(=O)(=O)N=[N+]=[N-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 56.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 174.96633191 10 0 0 0 1 0 1 0 1 -1