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-methylsulfinylphenyl)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-(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

C196H227Cl10F3N14O20S7 — CID 159408647

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-methylsulfinylphenyl)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-(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
SMILESCC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)n1.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.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1)S(C)(=O)=O.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1
InChIInChI=1S/2C18H21ClN2O3S.C17H19ClN2O3S.C17H20ClNOS.C17H18ClNO.C16H15ClF3NO.C16H18ClNO2S.C16H18ClNOS.C16H18ClNO.C16H18ClNS.C16H24O2.C13H17NO2/c1-18(2,3)16-8-6-7-15(20-16)13-11-12(9-10-14(13)19)17(22)21(4)25(5,23)24;1-5-25(23,24)21-17(22)12-9-10-14(19)13(11-12)15-7-6-8-16(20-15)18(2,3)4;1-17(2,3)15-7-5-6-14(19-15)12-10-11(8-9-13(12)18)16(21)20-24(4,22)23;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;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)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;1-8-12(15)14-11-9(13(2,3)4)6-5-7-10(11)16-8/h6-11H,1-5H3;6-11H,5H2,1-4H3,(H,21,22);5-10H,1-4H3,(H,20,21);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;7-8,11,14H,9H2,1-6H3;5-8H,1-4H3,(H,14,15)
InChIKeyLOHDXRXRONYCLY-UHFFFAOYSA-N
MW3735.04 g/mol
LogP51.76
Rot. Bonds26

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-methylsulfinylphenyl)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-(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

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-methylsulfinylphenyl)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-(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 (PubChem CID 159408647) has the molecular formula C196H227Cl10F3N14O20S7 and a molecular weight of 3735.04 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-methylsulfinylphenyl)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-(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.

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-methylsulfinylphenyl)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-(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
PubChem CID159408647
Molecular FormulaC196H227Cl10F3N14O20S7
Molecular Weight3735.04 g/mol
Exact Mass3727.21
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-methylsulfinylphenyl)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-(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
SMILESCC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)n1.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.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1)S(C)(=O)=O.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1
InChIInChI=1S/2C18H21ClN2O3S.C17H19ClN2O3S.C17H20ClNOS.C17H18ClNO.C16H15ClF3NO.C16H18ClNO2S.C16H18ClNOS.C16H18ClNO.C16H18ClNS.C16H24O2.C13H17NO2/c1-18(2,3)16-8-6-7-15(20-16)13-11-12(9-10-14(13)19)17(22)21(4)25(5,23)24;1-5-25(23,24)21-17(22)12-9-10-14(19)13(11-12)15-7-6-8-16(20-15)18(2,3)4;1-17(2,3)15-7-5-6-14(19-15)12-10-11(8-9-13(12)18)16(21)20-24(4,22)23;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;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)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;1-8-12(15)14-11-9(13(2,3)4)6-5-7-10(11)16-8/h6-11H,1-5H3;6-11H,5H2,1-4H3,(H,21,22);5-10H,1-4H3,(H,20,21);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;7-8,11,14H,9H2,1-6H3;5-8H,1-4H3,(H,14,15)
InChIKeyLOHDXRXRONYCLY-UHFFFAOYSA-N
XLogP51.76
TPSA470.43 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003735.04
LogP ≤ 551.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

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-methylsulfinylphenyl)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-(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 with MolForge

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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-methylsulfinylphenyl)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-(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?
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-methylsulfinylphenyl)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-(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 159408647) 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-methylsulfinylphenyl)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-(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.
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-methylsulfinylphenyl)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-(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?
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-methylsulfinylphenyl)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-(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 is CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)n1.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.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1)S(C)(=O)=O.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.COc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.
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-methylsulfinylphenyl)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-(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?
The InChIKey is LOHDXRXRONYCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H21ClN2O3S.C17H19ClN2O3S.C17H20ClNOS.C17H18ClNO.C16H15ClF3NO.C16H18ClNO2S.C16H18ClNOS.C16H18ClNO.C16H18ClNS.C16H24O2.C13H17NO2/c1-18(2,3)16-8-6-7-15(20-16)13-11-12(9-10-14(13)19)17(22)21(4)25(5,23)24;1-5-25(23,24)21-17(22)12-9-10-14(19)13(11-12)15-7-6-8-16(20-15)18(2,3)4;1-17(2,3)15-7-5-6-14(19-15)12-10-11(8-9-13(12)18)16(21)20-24(4,22)23;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;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)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;1-8-12(15)14-11-9(13(2,3)4)6-5-7-10(11)16-8/h6-11H,1-5H3;6-11H,5H2,1-4H3,(H,21,22);5-10H,1-4H3,(H,20,21);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;7-8,11,14H,9H2,1-6H3;5-8H,1-4H3,(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-methylsulfinylphenyl)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-(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?
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-methylsulfinylphenyl)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-(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 has a molecular weight of 3735.04 g/mol, XLogP of 51.76, 26 rotatable bonds, 3 hydrogen bond donors, and 31 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-methylsulfinylphenyl)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-(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 is sourced from PubChem (CID 159408647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).