2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone

C184H220Cl7F4N15O17S6 — CID 158370022

IUPAC2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CC(C)(C)C1CCS(=O)(=O)c2ccc(F)cc21.CC(C)(C)c1[nH]ncc1-c1nnc2ncccn12.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CC1Oc2cccc(C(C)(C)C)c2NC1=O.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.Cc1cccc2c1S(=O)(=O)CCC2C(C)(C)C
InChIInChI=1S/C18H21ClN2O3S.C17H20ClNOS.C17H18ClNO.C16H15ClF3NO.C16H18ClNO2S.C16H18ClNO.C16H18ClNS.C16H24O2.C14H20O2S.C13H17FO2S.C13H17NO2.C12H14N6/c1-5-25(23,24)21-17(22)12-9-10-14(19)13(11-12)15-7-6-8-16(20-15)18(2,3)4;1-5-21(20)12-9-10-14(18)13(11-12)15-7-6-8-16(19-15)17(2,3)4;1-11(20)12-8-9-14(18)13(10-12)15-6-5-7-16(19-15)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)22-16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(21(4,19)20)8-9-13(12)17;2*1-16(2,3)15-7-5-6-14(18-15)12-10-11(19-4)8-9-13(12)17;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-10-6-5-7-11-12(14(2,3)4)8-9-17(15,16)13(10)11;1-13(2,3)11-6-7-17(15,16)12-5-4-9(14)8-10(11)12;1-8-12(15)14-11-9(13(2,3)4)6-5-7-10(11)16-8;1-12(2,3)9-8(7-14-15-9)10-16-17-11-13-5-4-6-18(10)11/h6-11H,5H2,1-4H3,(H,21,22);6-11H,5H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;2*5-10H,1-4H3;7-8,11,14H,9H2,1-6H3;5-7,12H,8-9H2,1-4H3;4-5,8,11H,6-7H2,1-3H3;5-8H,1-4H3,(H,14,15);4-7H,1-3H3,(H,14,15)
InChIKeyGUMOYHUATUEIQU-UHFFFAOYSA-N
MW3430.44 g/mol
LogP48.45
Rot. Bonds19

About 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone

2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone (PubChem CID 158370022) has the molecular formula C184H220Cl7F4N15O17S6 and a molecular weight of 3430.44 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone.

Molecular Properties

Compound Name2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
PubChem CID158370022
Molecular FormulaC184H220Cl7F4N15O17S6
Molecular Weight3430.44 g/mol
Exact Mass3424.29
IUPAC Name2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CC(C)(C)C1CCS(=O)(=O)c2ccc(F)cc21.CC(C)(C)c1[nH]ncc1-c1nnc2ncccn12.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CC1Oc2cccc(C(C)(C)C)c2NC1=O.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.Cc1cccc2c1S(=O)(=O)CCC2C(C)(C)C
InChIInChI=1S/C18H21ClN2O3S.C17H20ClNOS.C17H18ClNO.C16H15ClF3NO.C16H18ClNO2S.C16H18ClNO.C16H18ClNS.C16H24O2.C14H20O2S.C13H17FO2S.C13H17NO2.C12H14N6/c1-5-25(23,24)21-17(22)12-9-10-14(19)13(11-12)15-7-6-8-16(20-15)18(2,3)4;1-5-21(20)12-9-10-14(18)13(11-12)15-7-6-8-16(19-15)17(2,3)4;1-11(20)12-8-9-14(18)13(10-12)15-6-5-7-16(19-15)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)22-16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(21(4,19)20)8-9-13(12)17;2*1-16(2,3)15-7-5-6-14(18-15)12-10-11(19-4)8-9-13(12)17;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-10-6-5-7-11-12(14(2,3)4)8-9-17(15,16)13(10)11;1-13(2,3)11-6-7-17(15,16)12-5-4-9(14)8-10(11)12;1-8-12(15)14-11-9(13(2,3)4)6-5-7-10(11)16-8;1-12(2,3)9-8(7-14-15-9)10-16-17-11-13-5-4-6-18(10)11/h6-11H,5H2,1-4H3,(H,21,22);6-11H,5H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;2*5-10H,1-4H3;7-8,11,14H,9H2,1-6H3;5-7,12H,8-9H2,1-4H3;4-5,8,11H,6-7H2,1-3H3;5-8H,1-4H3,(H,14,15);4-7H,1-3H3,(H,14,15)
InChIKeyGUMOYHUATUEIQU-UHFFFAOYSA-N
XLogP48.45
TPSA437.04 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003430.44
LogP ≤ 548.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone with MolForge

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Related Compounds

2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfanyl)phenyl]pyridine;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 157943465
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 158120503
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-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;3-(3-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 158411653
2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;6-tert-butyl-1-(oxan-2-yl)indazole;3-(3-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 158572270
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 158603272
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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-(trifluoromethoxy)phenyl]pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 158961254
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-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;6-tert-butyl-1-(oxan-2-yl)indazole;3-(3-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 158997742
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-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 159273887
2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;3-(3-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 159331589
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-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;6-tert-butyl-1-(oxan-2-yl)indazole;3-(3-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 159953861
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;6-(5-tert-butyl-1H-pyrazol-4-yl)pyrrolo[1,2-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 160703358
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-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 160868341

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone?
The IUPAC name of 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone (CID 158370022) is 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone.
What is the SMILES notation for 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone?
The canonical SMILES for 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone is CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CC(C)(C)C1CCS(=O)(=O)c2ccc(F)cc21.CC(C)(C)c1[nH]ncc1-c1nnc2ncccn12.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CC1Oc2cccc(C(C)(C)C)c2NC1=O.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.Cc1cccc2c1S(=O)(=O)CCC2C(C)(C)C.
What is the InChIKey of 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone?
The InChIKey is GUMOYHUATUEIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S.C17H20ClNOS.C17H18ClNO.C16H15ClF3NO.C16H18ClNO2S.C16H18ClNO.C16H18ClNS.C16H24O2.C14H20O2S.C13H17FO2S.C13H17NO2.C12H14N6/c1-5-25(23,24)21-17(22)12-9-10-14(19)13(11-12)15-7-6-8-16(20-15)18(2,3)4;1-5-21(20)12-9-10-14(18)13(11-12)15-7-6-8-16(19-15)17(2,3)4;1-11(20)12-8-9-14(18)13(10-12)15-6-5-7-16(19-15)17(2,3)4;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)22-16(18,19)20;1-16(2,3)15-7-5-6-14(18-15)12-10-11(21(4,19)20)8-9-13(12)17;2*1-16(2,3)15-7-5-6-14(18-15)12-10-11(19-4)8-9-13(12)17;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-10-6-5-7-11-12(14(2,3)4)8-9-17(15,16)13(10)11;1-13(2,3)11-6-7-17(15,16)12-5-4-9(14)8-10(11)12;1-8-12(15)14-11-9(13(2,3)4)6-5-7-10(11)16-8;1-12(2,3)9-8(7-14-15-9)10-16-17-11-13-5-4-6-18(10)11/h6-11H,5H2,1-4H3,(H,21,22);6-11H,5H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;2*5-10H,1-4H3;7-8,11,14H,9H2,1-6H3;5-7,12H,8-9H2,1-4H3;4-5,8,11H,6-7H2,1-3H3;5-8H,1-4H3,(H,14,15);4-7H,1-3H3,(H,14,15).
What are the key properties of 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone?
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone has a molecular weight of 3430.44 g/mol, XLogP of 48.45, 19 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;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;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone is sourced from PubChem (CID 158370022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).