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

C14H13Cl2NO3S — CID 70534531

IUPAC2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine
SMILESCCCS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C14H13Cl2NO3S/c1-2-7-21(18,19)11-4-6-14(17-9-11)20-10-3-5-12(15)13(16)8-10/h3-6,8-9H,2,7H2,1H3
InChIKeyKWUTUOLHJLGVEU-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.36
Rot. Bonds5

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

2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine (PubChem CID 70534531) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine
PubChem CID70534531
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine
SMILESCCCS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C14H13Cl2NO3S/c1-2-7-21(18,19)11-4-6-14(17-9-11)20-10-3-5-12(15)13(16)8-10/h3-6,8-9H,2,7H2,1H3
InChIKeyKWUTUOLHJLGVEU-UHFFFAOYSA-N
XLogP4.36
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenoxy)-5-hexylsulfonylpyridine
CID 13102710
6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide
CID 115928099
5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine
CID 13102727
6-(4-ethoxyphenoxy)pyridine-3-sulfonamide
CID 115928029
2-(3,4-dichlorophenoxy)-5-ethynylpyridine
CID 172879471
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80638854
(3,4-dichlorophenyl) 6-chloropyridine-3-sulfonate
CID 26948063
6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride
CID 112572747
1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
CID 112583858
6-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112572688
6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride
CID 115928074

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine (CID 70534531) is 2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine is CCCS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine?
The InChIKey is KWUTUOLHJLGVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-2-7-21(18,19)11-4-6-14(17-9-11)20-10-3-5-12(15)13(16)8-10/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine?
2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine has a molecular weight of 346.24 g/mol, XLogP of 4.36, 5 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-propylsulfonylpyridine is sourced from PubChem (CID 70534531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).