14652 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 16 8 8 7 7 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 4 4 4 5 5 6 6 6 7 8 8 9 10 11 11 12 12 13 14 15 15 16 16 17 17 17 18 18 19 2 3 8 17 9 10 15 7 9 7 11 12 10 13 14 16 20 13 21 14 22 23 24 18 25 19 26 27 28 29 19 30 31 2 2 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 2 1 1 1 2 1 2 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 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 9.2619 9.2619 9.2619 3.732 4.6783 6.2619 5.2619 8.2619 3.732 4.6783 6.7619 6.7619 7.7619 7.7619 2.866 2.866 10.2619 2 2 4.8709 6.4519 6.4519 8.0719 8.0719 2.866 2.866 10.2619 10.8819 10.2619 1.4631 1.4631 -0 1 -1 0.5 -0.8047 0 -0 0 -0.5 0.8047 0.866 -0.866 0.866 -0.866 1 -1 -0 0.5 -0.5 1.394 1.403 -1.403 1.403 -1.403 1.62 -1.62 -0.62 -0 0.62 0.81 -0.81 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 6 6 7 8 8 9 11 12 15 16 18 9 10 15 7 9 11 12 10 13 14 16 13 14 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 410 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07330004000000000000000000000000001600000003C400000000000005801F000001C04000000000C08C15F04BFB19F0C180AA00336676470C2802D311AB009D8383874988868E2E09991942008688002C8C8271080800E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-mesylphenyl)imidazo[1,2-a]pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VSLIUWLPFRVCDL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.06194880 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12N2O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 272.06194880 19 0 0 0 0 0 0 0 1 -1