2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile

C23H15ClN2OS2 — CID 40945006

IUPAC2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@](=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN2OS2/c24-18-10-8-16(9-11-18)15-29(27)23-20(14-25)19(17-5-2-1-3-6-17)13-21(26-23)22-7-4-12-28-22/h1-13H,15H2/t29-/m1/s1
InChIKeyLKSDEUWISFYTBY-GDLZYMKVSA-N
MW434.97 g/mol
LogP6.31
Rot. Bonds5

About 2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile

2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 40945006) has the molecular formula C23H15ClN2OS2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID40945006
Molecular FormulaC23H15ClN2OS2
Molecular Weight434.97 g/mol
Exact Mass434.03
IUPAC Name2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@](=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN2OS2/c24-18-10-8-16(9-11-18)15-29(27)23-20(14-25)19(17-5-2-1-3-6-17)13-21(26-23)22-7-4-12-28-22/h1-13H,15H2/t29-/m1/s1
InChIKeyLKSDEUWISFYTBY-GDLZYMKVSA-N
XLogP6.31
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile (CID 40945006) is 2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@](=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is LKSDEUWISFYTBY-GDLZYMKVSA-N. The full InChI is InChI=1S/C23H15ClN2OS2/c24-18-10-8-16(9-11-18)15-29(27)23-20(14-25)19(17-5-2-1-3-6-17)13-21(26-23)22-7-4-12-28-22/h1-13H,15H2/t29-/m1/s1.
What are the key properties of 2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 434.97 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-chlorophenyl)methylsulfinyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 40945006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).