2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine

C22H23NO4S2 — CID 35549148

IUPAC2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine
SMILESCOc1ccc(C[S@@](=O)c2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO4S2/c1-15-5-11-20(12-6-15)29(25,26)21-16(2)13-17(3)23-22(21)28(24)14-18-7-9-19(27-4)10-8-18/h5-13H,14H2,1-4H3/t28-/m1/s1
InChIKeyUOOBIWPIXDIPLC-MUUNZHRXSA-N
MW429.56 g/mol
LogP4.16
Rot. Bonds6

About 2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine

2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine (PubChem CID 35549148) has the molecular formula C22H23NO4S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine
PubChem CID35549148
Molecular FormulaC22H23NO4S2
Molecular Weight429.56 g/mol
Exact Mass429.11
IUPAC Name2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine
SMILESCOc1ccc(C[S@@](=O)c2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO4S2/c1-15-5-11-20(12-6-15)29(25,26)21-16(2)13-17(3)23-22(21)28(24)14-18-7-9-19(27-4)10-8-18/h5-13H,14H2,1-4H3/t28-/m1/s1
InChIKeyUOOBIWPIXDIPLC-MUUNZHRXSA-N
XLogP4.16
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine?
The IUPAC name of 2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine (CID 35549148) is 2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine.
What is the SMILES notation for 2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine?
The canonical SMILES for 2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine is COc1ccc(C[S@@](=O)c2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine?
The InChIKey is UOOBIWPIXDIPLC-MUUNZHRXSA-N. The full InChI is InChI=1S/C22H23NO4S2/c1-15-5-11-20(12-6-15)29(25,26)21-16(2)13-17(3)23-22(21)28(24)14-18-7-9-19(27-4)10-8-18/h5-13H,14H2,1-4H3/t28-/m1/s1.
What are the key properties of 2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine?
2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine has a molecular weight of 429.56 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine is sourced from PubChem (CID 35549148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).