1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone

C177H186Cl10F13N3O16S7 — CID 161241388

IUPAC1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)c1F.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)c1F.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)c1F.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1)S(C)(=O)=O.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1
InChIInChI=1S/2C19H21ClFNO3S.C18H19ClFNO3S.C18H20ClFOS.C18H18ClFO.C17H15ClF4O.C17H18ClFO2S.C17H18ClFOS.C17H18ClFO.C17H18ClFS/c1-19(2,3)15-8-6-7-13(17(15)21)14-11-12(9-10-16(14)20)18(23)22(4)26(5,24)25;1-5-26(24,25)22-18(23)12-9-10-16(20)14(11-12)13-7-6-8-15(17(13)21)19(2,3)4;1-18(2,3)14-7-5-6-12(16(14)20)13-10-11(8-9-15(13)19)17(22)21-25(4,23)24;1-5-22(21)12-9-10-16(19)14(11-12)13-7-6-8-15(17(13)20)18(2,3)4;1-11(21)12-8-9-16(19)14(10-12)13-6-5-7-15(17(13)20)18(2,3)4;1-16(2,3)13-6-4-5-11(15(13)19)12-9-10(7-8-14(12)18)23-17(20,21)22;1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(22(4,20)21)8-9-15(13)18;1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(21(4)20)8-9-15(13)18;2*1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(20-4)8-9-15(13)18/h6-11H,1-5H3;6-11H,5H2,1-4H3,(H,22,23);5-10H,1-4H3,(H,21,22);6-11H,5H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3
InChIKeyVAAZGWIOWINQJD-UHFFFAOYSA-N
MW3437.41 g/mol
LogP52.34
Rot. Bonds25

About 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone

1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone (PubChem CID 161241388) has the molecular formula C177H186Cl10F13N3O16S7 and a molecular weight of 3437.41 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone.

Molecular Properties

Compound Name1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone
PubChem CID161241388
Molecular FormulaC177H186Cl10F13N3O16S7
Molecular Weight3437.41 g/mol
Exact Mass3429.86
IUPAC Name1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)c1F.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)c1F.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)c1F.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1)S(C)(=O)=O.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1
InChIInChI=1S/2C19H21ClFNO3S.C18H19ClFNO3S.C18H20ClFOS.C18H18ClFO.C17H15ClF4O.C17H18ClFO2S.C17H18ClFOS.C17H18ClFO.C17H18ClFS/c1-19(2,3)15-8-6-7-13(17(15)21)14-11-12(9-10-16(14)20)18(23)22(4)26(5,24)25;1-5-26(24,25)22-18(23)12-9-10-16(20)14(11-12)13-7-6-8-15(17(13)21)19(2,3)4;1-18(2,3)14-7-5-6-12(16(14)20)13-10-11(8-9-15(13)19)17(22)21-25(4,23)24;1-5-22(21)12-9-10-16(19)14(11-12)13-7-6-8-15(17(13)20)18(2,3)4;1-11(21)12-8-9-16(19)14(10-12)13-6-5-7-15(17(13)20)18(2,3)4;1-16(2,3)13-6-4-5-11(15(13)19)12-9-10(7-8-14(12)18)23-17(20,21)22;1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(22(4,20)21)8-9-15(13)18;1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(21(4)20)8-9-15(13)18;2*1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(20-4)8-9-15(13)18/h6-11H,1-5H3;6-11H,5H2,1-4H3,(H,22,23);5-10H,1-4H3,(H,21,22);6-11H,5H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3
InChIKeyVAAZGWIOWINQJD-UHFFFAOYSA-N
XLogP52.34
TPSA284.74 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003437.41
LogP ≤ 552.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone with MolForge

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Related Compounds

1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethylsulfanyl)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone
CID 159777590
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-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 161019160
1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;bis(1-tert-butyl-3-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-2-fluorobenzene);2-tert-butyl-7-(2,4-difluorophenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(4-fluoro-2-methoxyphenyl)cyclohepta-2,4,6-trien-1-one;2-tert-butyl-7-(4-fluoro-2-methylsulfanylphenyl)cyclohepta-2,4,6-trien-1-one;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)-5-fluorobenzonitrile
CID 157228236
1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-2-fluorobenzene;2-tert-butyl-7-(4-fluoro-2-methylsulfanylphenyl)cyclohepta-2,4,6-trien-1-one;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;2-(6-tert-butyl-7-oxocyclohepta-1,3,5-trien-1-yl)-5-fluorobenzonitrile
CID 159039611
3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide
CID 118329322
N-[1-[3-tert-butyl-5-(2-chloro-5-methylsulfonylphenyl)-4-fluorophenyl]ethylsulfonyl]-3-(3-tert-butyl-2-fluorophenyl)-4-chlorobenzamide
CID 129169364
bis(2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine);2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;methane
CID 158948338
1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]ethanone
CID 118330416
1-[5-oxo-8-(trifluoromethoxy)dibenzothiophen-2-yl]ethanone
CID 71712775
3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzenethiol
CID 123432428
4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
CID 55880093
4-[3-chloro-4-(trifluoromethoxy)phenoxy]-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide
CID 71610667

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone?
The IUPAC name of 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone (CID 161241388) is 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone.
What is the SMILES notation for 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone?
The canonical SMILES for 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone is CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)c1F.CC(C)(C)c1cccc(-c2cc(OC(F)(F)F)ccc2Cl)c1F.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)c1F.CCS(=O)(=O)NC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1)S(C)(=O)=O.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)c2F)c1.
What is the InChIKey of 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone?
The InChIKey is VAAZGWIOWINQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21ClFNO3S.C18H19ClFNO3S.C18H20ClFOS.C18H18ClFO.C17H15ClF4O.C17H18ClFO2S.C17H18ClFOS.C17H18ClFO.C17H18ClFS/c1-19(2,3)15-8-6-7-13(17(15)21)14-11-12(9-10-16(14)20)18(23)22(4)26(5,24)25;1-5-26(24,25)22-18(23)12-9-10-16(20)14(11-12)13-7-6-8-15(17(13)21)19(2,3)4;1-18(2,3)14-7-5-6-12(16(14)20)13-10-11(8-9-15(13)19)17(22)21-25(4,23)24;1-5-22(21)12-9-10-16(19)14(11-12)13-7-6-8-15(17(13)20)18(2,3)4;1-11(21)12-8-9-16(19)14(10-12)13-6-5-7-15(17(13)20)18(2,3)4;1-16(2,3)13-6-4-5-11(15(13)19)12-9-10(7-8-14(12)18)23-17(20,21)22;1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(22(4,20)21)8-9-15(13)18;1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(21(4)20)8-9-15(13)18;2*1-17(2,3)14-7-5-6-12(16(14)19)13-10-11(20-4)8-9-15(13)18/h6-11H,1-5H3;6-11H,5H2,1-4H3,(H,22,23);5-10H,1-4H3,(H,21,22);6-11H,5H2,1-4H3;5-10H,1-4H3;4-9H,1-3H3;5-10H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3.
What are the key properties of 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone?
1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone has a molecular weight of 3437.41 g/mol, XLogP of 52.34, 25 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-chloro-5-ethylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfanylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfinylphenyl)-2-fluorobenzene;1-tert-butyl-3-(2-chloro-5-methylsulfonylphenyl)-2-fluorobenzene;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-ethylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone is sourced from PubChem (CID 161241388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).