5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine

C12H8Cl3NO2S — CID 112816763

IUPAC5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1
InChIInChI=1S/C12H8Cl3NO2S/c13-9-2-4-12(16-6-9)19(17,18)7-8-1-3-10(14)11(15)5-8/h1-6H,7H2
InChIKeyOTRFAPAZBSRMLO-UHFFFAOYSA-N
MW336.63 g/mol
LogP4.02
Rot. Bonds3

About 5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine

5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine (PubChem CID 112816763) has the molecular formula C12H8Cl3NO2S and a molecular weight of 336.63 g/mol. Its IUPAC name is 5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine
PubChem CID112816763
Molecular FormulaC12H8Cl3NO2S
Molecular Weight336.63 g/mol
Exact Mass334.93
IUPAC Name5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1
InChIInChI=1S/C12H8Cl3NO2S/c13-9-2-4-12(16-6-9)19(17,18)7-8-1-3-10(14)11(15)5-8/h1-6H,7H2
InChIKeyOTRFAPAZBSRMLO-UHFFFAOYSA-N
XLogP4.02
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.63
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine?
The IUPAC name of 5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine (CID 112816763) is 5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine?
The canonical SMILES for 5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine?
The InChIKey is OTRFAPAZBSRMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO2S/c13-9-2-4-12(16-6-9)19(17,18)7-8-1-3-10(14)11(15)5-8/h1-6H,7H2.
What are the key properties of 5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine?
5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine has a molecular weight of 336.63 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine is sourced from PubChem (CID 112816763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).