3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole

C118H89F20N17O20S11 — CID 157189623

IUPAC3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole
SMILESCCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2n1C.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2o1.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)C(F)(F)F)ccc2n1C.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)C(F)(F)F)ccc2o1.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2n1C
InChIInChI=1S/C20H15F5N4O2S.C20H16F3N3O4S2.C20H16F3N3O3S2.C20H16F3N3O2S2.C19H13F3N2O5S2.C19H13F3N2O4S2/c1-3-32(30,31)15-8-11-6-4-5-7-13(11)27-16(15)18-28-14-9-12(10-26-17(14)29(18)2)19(21,22)20(23,24)25;1-3-31(27,28)17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(8-9-16(15)26(19)2)32(29,30)20(21,22)23;1-3-31(28,29)17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(30(27)20(21,22)23)8-9-16(15)26(19)2;1-3-30(27,28)17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(29-20(21,22)23)8-9-16(15)26(19)2;1-2-30(25,26)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(7-8-15(14)29-18)31(27,28)19(20,21)22;1-2-30(26,27)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(7-8-15(14)28-18)29(25)19(20,21)22/h4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;3-10H,2H2,1H3;3-10H,2H2,1H3
InChIKeyAPNTZPMVDVQMTO-UHFFFAOYSA-N
MW2797.81 g/mol
LogP26.50
Rot. Bonds24

About 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole

3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole (PubChem CID 157189623) has the molecular formula C118H89F20N17O20S11 and a molecular weight of 2797.81 g/mol. Its IUPAC name is 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole.

Molecular Properties

Compound Name3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole
PubChem CID157189623
Molecular FormulaC118H89F20N17O20S11
Molecular Weight2797.81 g/mol
Exact Mass2795.31
IUPAC Name3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole
SMILESCCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2n1C.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2o1.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)C(F)(F)F)ccc2n1C.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)C(F)(F)F)ccc2o1.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2n1C
InChIInChI=1S/C20H15F5N4O2S.C20H16F3N3O4S2.C20H16F3N3O3S2.C20H16F3N3O2S2.C19H13F3N2O5S2.C19H13F3N2O4S2/c1-3-32(30,31)15-8-11-6-4-5-7-13(11)27-16(15)18-28-14-9-12(10-26-17(14)29(18)2)19(21,22)20(23,24)25;1-3-31(27,28)17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(8-9-16(15)26(19)2)32(29,30)20(21,22)23;1-3-31(28,29)17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(30(27)20(21,22)23)8-9-16(15)26(19)2;1-3-30(27,28)17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(29-20(21,22)23)8-9-16(15)26(19)2;1-2-30(25,26)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(7-8-15(14)29-18)31(27,28)19(20,21)22;1-2-30(26,27)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(7-8-15(14)28-18)29(25)19(20,21)22/h4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;3-10H,2H2,1H3;3-10H,2H2,1H3
InChIKeyAPNTZPMVDVQMTO-UHFFFAOYSA-N
XLogP26.50
TPSA520.83 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002797.81
LogP ≤ 526.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole with MolForge

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Related Compounds

2-(3-Ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-2-pyridinyl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole
CID 137366985
2-(3-Ethylsulfonyl-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfinyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 158397330
6-(3-ethylsulfanylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfanylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfanylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole;2-(3-ethylsulfinylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
CID 158566635
3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 161024167
3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-(3-ethylsulfonylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;6-(3-ethylsulfonylquinolin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
CID 161166687
2-[6-(1,1-Difluoroethyl)-3-ethylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-5-(trifluoromethylsulfonyl)-1,3-benzoxazole;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
CID 162232254
2-(3-Anthracen-9-yl-5-pyridin-3-ylphenyl)-3-phenylbenzimidazole-5-carbonitrile;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-6-methylsulfonyl-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine;2-[4-(3-isoquinolin-8-yl-5-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3-benzoxazole
CID 157629211
9-isoquinolin-3-yl-2-[2-(1-methylbenzimidazol-2-yl)-1H-carbazol-1-id-9-yl]-1H-carbazol-1-ide;5-(1-methylbenzimidazol-2-yl)-7-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-6H-benzo[c]carbazol-6-ide;tetrakis(platinum(2+));2-[7-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-6H-benzo[c]carbazol-6-id-5-yl]-1,3-benzothiazole;2-[7-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-6H-benzo[c]carbazol-6-id-5-yl]-1,3-benzoxazole
CID 157843559
2-[4-[5-[4-(1,3-benzothiazol-2-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-1,3-benzothiazole;2-[4-[5-[4-(1,3-benzoxazol-2-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-1,3-benzoxazole;2-[2-(1-methylbenzimidazol-2-yl)-5-[5-[4-(1-methylbenzimidazol-2-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[2-(1-methylindol-2-yl)-5-[5-[4-(1-methylindol-2-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;octakis(platinum(2+))
CID 157975775
Ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene
CID 158110472
2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline
CID 158657603
10-[5-(1,3-Benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 158705071

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole?
The IUPAC name of 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole (CID 157189623) is 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole.
What is the SMILES notation for 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole?
The canonical SMILES for 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole is CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)C(F)(F)F)cnc2n1C.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2n1C.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2o1.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)C(F)(F)F)ccc2n1C.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(S(=O)C(F)(F)F)ccc2o1.CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2n1C.
What is the InChIKey of 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole?
The InChIKey is APNTZPMVDVQMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O2S.C20H16F3N3O4S2.C20H16F3N3O3S2.C20H16F3N3O2S2.C19H13F3N2O5S2.C19H13F3N2O4S2/c1-3-32(30,31)15-8-11-6-4-5-7-13(11)27-16(15)18-28-14-9-12(10-26-17(14)29(18)2)19(21,22)20(23,24)25;1-3-31(27,28)17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(8-9-16(15)26(19)2)32(29,30)20(21,22)23;1-3-31(28,29)17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(30(27)20(21,22)23)8-9-16(15)26(19)2;1-3-30(27,28)17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(29-20(21,22)23)8-9-16(15)26(19)2;1-2-30(25,26)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(7-8-15(14)29-18)31(27,28)19(20,21)22;1-2-30(26,27)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(7-8-15(14)28-18)29(25)19(20,21)22/h4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;4-11H,3H2,1-2H3;3-10H,2H2,1H3;3-10H,2H2,1H3.
What are the key properties of 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole?
3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole has a molecular weight of 2797.81 g/mol, XLogP of 26.50, 24 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole is sourced from PubChem (CID 157189623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).