2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine

C19H17NO2S2 — CID 39529079

IUPAC2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine
SMILESCc1ccc(S(=O)(=O)c2ccc(CSc3ccccn3)cc2)cc1
InChIInChI=1S/C19H17NO2S2/c1-15-5-9-17(10-6-15)24(21,22)18-11-7-16(8-12-18)14-23-19-4-2-3-13-20-19/h2-13H,14H2,1H3
InChIKeyOCLWVPLJPAKOAC-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.52
Rot. Bonds5

About 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine

2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine (PubChem CID 39529079) has the molecular formula C19H17NO2S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine
PubChem CID39529079
Molecular FormulaC19H17NO2S2
Molecular Weight355.48 g/mol
Exact Mass355.07
IUPAC Name2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine
SMILESCc1ccc(S(=O)(=O)c2ccc(CSc3ccccn3)cc2)cc1
InChIInChI=1S/C19H17NO2S2/c1-15-5-9-17(10-6-15)24(21,22)18-11-7-16(8-12-18)14-23-19-4-2-3-13-20-19/h2-13H,14H2,1H3
InChIKeyOCLWVPLJPAKOAC-UHFFFAOYSA-N
XLogP4.52
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine?
The IUPAC name of 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine (CID 39529079) is 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine.
What is the SMILES notation for 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine?
The canonical SMILES for 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine is Cc1ccc(S(=O)(=O)c2ccc(CSc3ccccn3)cc2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine?
The InChIKey is OCLWVPLJPAKOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S2/c1-15-5-9-17(10-6-15)24(21,22)18-11-7-16(8-12-18)14-23-19-4-2-3-13-20-19/h2-13H,14H2,1H3.
What are the key properties of 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine?
2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine has a molecular weight of 355.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine is sourced from PubChem (CID 39529079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).