2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine

C12H9Cl2NO3S — CID 514892

IUPAC2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C12H9Cl2NO3S/c1-19(16,17)9-3-5-12(15-7-9)18-8-2-4-10(13)11(14)6-8/h2-7H,1H3
InChIKeyOTZXJTPXQYLTDA-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.58
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine

2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine (PubChem CID 514892) has the molecular formula C12H9Cl2NO3S and a molecular weight of 318.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine
PubChem CID514892
Molecular FormulaC12H9Cl2NO3S
Molecular Weight318.18 g/mol
Exact Mass316.97
IUPAC Name2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C12H9Cl2NO3S/c1-19(16,17)9-3-5-12(15-7-9)18-8-2-4-10(13)11(14)6-8/h2-7H,1H3
InChIKeyOTZXJTPXQYLTDA-UHFFFAOYSA-N
XLogP3.58
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 901268
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3-chloro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155525158
3-chloro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155559174
3-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155566926
1-[[6-(3-Chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 2539884
2-[2-(4-Chlorophenoxy)ethylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7779721
1-[[6-[2-(4-Chlorophenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 16304684
4-[[6-(4-Chlorophenoxy)-3-pyridinyl]sulfonyl]morpholine
CID 24981897
2-chloro-3-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155527259
2-chloro-3-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155554308
5-chloro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155564048

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine (CID 514892) is 2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine?
The InChIKey is OTZXJTPXQYLTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3S/c1-19(16,17)9-3-5-12(15-7-9)18-8-2-4-10(13)11(14)6-8/h2-7H,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine?
2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine has a molecular weight of 318.18 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-5-methylsulfonylpyridine is sourced from PubChem (CID 514892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).