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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide

C83H91Cl5F3N7O11S5 — CID 158575302

About 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide

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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide (PubChem CID 158575302) has the molecular formula C83H91Cl5F3N7O11S5 and a molecular weight of 1757.27 g/mol. Its IUPAC name is 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide.

Molecular Properties

• Compound Name: 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
• PubChem CID: 158575302
• Molecular Formula: C83H91Cl5F3N7O11S5
• Molecular Weight: 1757.27 g/mol
• Exact Mass: 1753.38
• IUPAC Name: 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
• SMILES: CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1)S(C)(=O)=O.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1
• InChI: InChI=1S/C18H21ClN2O3S.C17H19ClN2O3S.C16H15ClF3NO2S.C16H18ClNO2S.C16H18ClNOS/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;1-17(2,3)15-7-5-6-14(19-15)12-10-11(8-9-13(12)18)16(21)20-24(4,22)23;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)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/h6-11H,1-5H3;5-10H,1-4H3,(H,20,21);4-9H,1-3H3;5-10H,1-4H3;5-10H,1-4H3
• InChIKey: HSOWNKAOFOQEJC-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 267.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1757.27
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide?

The IUPAC name of 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide (CID 158575302) is 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide.

What is the SMILES notation for 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide?

The canonical SMILES for 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide is CC(C)(C)c1cccc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(=O)(=O)C(F)(F)F)ccc2Cl)n1.CC(C)(C)c1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)n1.CN(C(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1)S(C)(=O)=O.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.

What is the InChIKey of 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide?

The InChIKey is HSOWNKAOFOQEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S.C17H19ClN2O3S.C16H15ClF3NO2S.C16H18ClNO2S.C16H18ClNOS/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;1-17(2,3)15-7-5-6-14(19-15)12-10-11(8-9-13(12)18)16(21)20-24(4,22)23;1-15(2,3)14-6-4-5-13(21-14)11-9-10(7-8-12(11)17)24(22,23)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/h6-11H,1-5H3;5-10H,1-4H3,(H,20,21);4-9H,1-3H3;5-10H,1-4H3;5-10H,1-4H3.

What are the key properties of 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide?

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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide has a molecular weight of 1757.27 g/mol, XLogP of 20.65, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide is sourced from PubChem (CID 158575302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).