3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine

C₇₄H₇₈N₂O₄S₂ — CID 158101277

About 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine

3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine (PubChem CID 158101277) has the molecular formula C₇₄H₇₈N₂O₄S₂ and a molecular weight of 1123.58 g/mol. Its IUPAC name is 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine.

Molecular Properties

• Compound Name: 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
• PubChem CID: 158101277
• Molecular Formula: C₇₄H₇₈N₂O₄S₂
• Molecular Weight: 1123.58 g/mol
• Exact Mass: 1122.54
• IUPAC Name: 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
• SMILES: CC1CC(C)C(c2ccccc2)S(=O)(=O)C1c1ccccc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccccc1Cc1ccccc1C
• InChI: InChI=1S/C19H22O2S.C15H16.C14H14O2S.C14H14.C12H12N2/c1-14-13-15(2)19(17-11-7-4-8-12-17)22(20,21)18(14)16-9-5-3-6-10-16;1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-12,14-15,18-19H,13H2,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3
• InChIKey: FPHBMEXOVDMAJQ-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 94.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.58
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine?

The IUPAC name of 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine (CID 158101277) is 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine.

What is the SMILES notation for 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine?

The canonical SMILES for 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine is CC1CC(C)C(c2ccccc2)S(=O)(=O)C1c1ccccc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccccc1Cc1ccccc1C.

What is the InChIKey of 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine?

The InChIKey is FPHBMEXOVDMAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2S.C15H16.C14H14O2S.C14H14.C12H12N2/c1-14-13-15(2)19(17-11-7-4-8-12-17)22(20,21)18(14)16-9-5-3-6-10-16;1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-12,14-15,18-19H,13H2,1-2H3;3-10H,11H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3.

What are the key properties of 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine?

3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine has a molecular weight of 1123.58 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-2,6-diphenylthiane 1,1-dioxide;1-methyl-4-(4-methylphenyl)benzene;1-methyl-2-[(2-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;5-methyl-2-(5-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 158101277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158101277 — identifiers, structure, computed properties (public domain)

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