1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone

C183H214F11N9O19S7 — CID 159798970

IUPAC1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)c2F)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.COc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(C(=O)N(C)S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(C(=O)NS(C)(=O)=O)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(OC(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)c1F
InChIInChI=1S/2C20H24FNO3S.C19H22FNO3S.C19H24N2O3S.C18H18F4O2S.C18H21FO2S.C18H21NO.C17H18F3NO.C17H21NO.C17H21NS/c1-13-10-11-14(19(23)22(5)26(6,24)25)12-16(13)15-8-7-9-17(18(15)21)20(2,3)4;1-6-26(24,25)22-19(23)14-11-10-13(2)16(12-14)15-8-7-9-17(18(15)21)20(3,4)5;1-12-9-10-13(18(22)21-25(5,23)24)11-15(12)14-7-6-8-16(17(14)20)19(2,3)4;1-6-25(23,24)21-18(22)14-11-10-13(2)15(12-14)16-8-7-9-17(20-16)19(3,4)5;1-11-8-9-12(25(23,24)18(20,21)22)10-14(11)13-6-5-7-15(16(13)19)17(2,3)4;1-12-9-10-13(22(5,20)21)11-15(12)14-7-6-8-16(17(14)19)18(2,3)4;1-12-9-10-14(13(2)20)11-15(12)16-7-6-8-17(19-16)18(3,4)5;1-11-8-9-12(22-17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;2*1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4/h7-12H,1-6H3;7-12H,6H2,1-5H3,(H,22,23);6-11H,1-5H3,(H,21,22);7-12H,6H2,1-5H3,(H,21,22);5-10H,1-4H3;6-11H,1-5H3;6-11H,1-5H3;5-10H,1-4H3;2*6-11H,1-5H3
InChIKeyNJNREOUFXOYZJK-UHFFFAOYSA-N
MW3277.22 g/mol
LogP44.67
Rot. Bonds26

About 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone

1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone (PubChem CID 159798970) has the molecular formula C183H214F11N9O19S7 and a molecular weight of 3277.22 g/mol. Its IUPAC name is 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
PubChem CID159798970
Molecular FormulaC183H214F11N9O19S7
Molecular Weight3277.22 g/mol
Exact Mass3274.39
IUPAC Name1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)c2F)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.COc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(C(=O)N(C)S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(C(=O)NS(C)(=O)=O)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(OC(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)c1F
InChIInChI=1S/2C20H24FNO3S.C19H22FNO3S.C19H24N2O3S.C18H18F4O2S.C18H21FO2S.C18H21NO.C17H18F3NO.C17H21NO.C17H21NS/c1-13-10-11-14(19(23)22(5)26(6,24)25)12-16(13)15-8-7-9-17(18(15)21)20(2,3)4;1-6-26(24,25)22-19(23)14-11-10-13(2)16(12-14)15-8-7-9-17(18(15)21)20(3,4)5;1-12-9-10-13(18(22)21-25(5,23)24)11-15(12)14-7-6-8-16(17(14)20)19(2,3)4;1-6-25(23,24)21-18(22)14-11-10-13(2)15(12-14)16-8-7-9-17(20-16)19(3,4)5;1-11-8-9-12(25(23,24)18(20,21)22)10-14(11)13-6-5-7-15(16(13)19)17(2,3)4;1-12-9-10-13(22(5,20)21)11-15(12)14-7-6-8-16(17(14)19)18(2,3)4;1-12-9-10-14(13(2)20)11-15(12)16-7-6-8-17(19-16)18(3,4)5;1-11-8-9-12(22-17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;2*1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4/h7-12H,1-6H3;7-12H,6H2,1-5H3,(H,22,23);6-11H,1-5H3,(H,21,22);7-12H,6H2,1-5H3,(H,21,22);5-10H,1-4H3;6-11H,1-5H3;6-11H,1-5H3;5-10H,1-4H3;2*6-11H,1-5H3
InChIKeyNJNREOUFXOYZJK-UHFFFAOYSA-N
XLogP44.67
TPSA412.43 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003277.22
LogP ≤ 544.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone with MolForge

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Related Compounds

1-Tert-butyl-2-fluoro-3-(5-methoxy-2-methylphenyl)benzene;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tetrakis(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethoxy)phenyl]benzene;1-[3-(3-tert-butyl-2-fluorophenyl)-4-methylphenyl]ethanone;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone)
CID 157138416
2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
CID 157500334
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 157655779
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;methane
CID 157938331
tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane
CID 158225920
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane
CID 158264583
2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 158426217
2-(5-acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
CID 158460326
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 158549976
2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;bis(2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine);2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 158766623
2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
CID 159737818
2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
CID 159757896

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone?
The IUPAC name of 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone (CID 159798970) is 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone.
What is the SMILES notation for 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone?
The canonical SMILES for 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone is CC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)c2F)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.COc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(C(=O)N(C)S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(C(=O)NS(C)(=O)=O)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(OC(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1cccc(C(C)(C)C)c1F.Cc1ccc(S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)c1F.
What is the InChIKey of 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone?
The InChIKey is NJNREOUFXOYZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H24FNO3S.C19H22FNO3S.C19H24N2O3S.C18H18F4O2S.C18H21FO2S.C18H21NO.C17H18F3NO.C17H21NO.C17H21NS/c1-13-10-11-14(19(23)22(5)26(6,24)25)12-16(13)15-8-7-9-17(18(15)21)20(2,3)4;1-6-26(24,25)22-19(23)14-11-10-13(2)16(12-14)15-8-7-9-17(18(15)21)20(3,4)5;1-12-9-10-13(18(22)21-25(5,23)24)11-15(12)14-7-6-8-16(17(14)20)19(2,3)4;1-6-25(23,24)21-18(22)14-11-10-13(2)15(12-14)16-8-7-9-17(20-16)19(3,4)5;1-11-8-9-12(25(23,24)18(20,21)22)10-14(11)13-6-5-7-15(16(13)19)17(2,3)4;1-12-9-10-13(22(5,20)21)11-15(12)14-7-6-8-16(17(14)19)18(2,3)4;1-12-9-10-14(13(2)20)11-15(12)16-7-6-8-17(19-16)18(3,4)5;1-11-8-9-12(22-17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;2*1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4/h7-12H,1-6H3;7-12H,6H2,1-5H3,(H,22,23);6-11H,1-5H3,(H,21,22);7-12H,6H2,1-5H3,(H,21,22);5-10H,1-4H3;6-11H,1-5H3;6-11H,1-5H3;5-10H,1-4H3;2*6-11H,1-5H3.
What are the key properties of 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone?
1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone has a molecular weight of 3277.22 g/mol, XLogP of 44.67, 26 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone is sourced from PubChem (CID 159798970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).