5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine

C13H10Cl3NO3S — CID 13102727

IUPAC5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine
SMILESCCS(=O)(=O)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1
InChIInChI=1S/C13H10Cl3NO3S/c1-2-21(18,19)8-3-4-13(17-7-8)20-12-6-10(15)9(14)5-11(12)16/h3-7H,2H2,1H3
InChIKeyDMAWDKBGWYWIPZ-UHFFFAOYSA-N
MW366.65 g/mol
LogP4.63
Rot. Bonds4

About 5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine

5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine (PubChem CID 13102727) has the molecular formula C13H10Cl3NO3S and a molecular weight of 366.65 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine
PubChem CID13102727
Molecular FormulaC13H10Cl3NO3S
Molecular Weight366.65 g/mol
Exact Mass364.94
IUPAC Name5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine
SMILESCCS(=O)(=O)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1
InChIInChI=1S/C13H10Cl3NO3S/c1-2-21(18,19)8-3-4-13(17-7-8)20-12-6-10(15)9(14)5-11(12)16/h3-7H,2H2,1H3
InChIKeyDMAWDKBGWYWIPZ-UHFFFAOYSA-N
XLogP4.63
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichlorophenoxy)-5-propylsulfonylpyridine
CID 70534531
6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 112572733
2-(3,4-dichlorophenoxy)-5-hexylsulfonylpyridine
CID 13102710
N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296185
6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide
CID 115928099
6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide
CID 70291084
6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 29293672
1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 2540560
1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 4791531
2-tert-butyl-5-ethylsulfonylpyridine
CID 146657361
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 35978496
N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine
CID 80863080

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine?
The IUPAC name of 5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine (CID 13102727) is 5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine.
What is the SMILES notation for 5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine?
The canonical SMILES for 5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine is CCS(=O)(=O)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1.
What is the InChIKey of 5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine?
The InChIKey is DMAWDKBGWYWIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO3S/c1-2-21(18,19)8-3-4-13(17-7-8)20-12-6-10(15)9(14)5-11(12)16/h3-7H,2H2,1H3.
What are the key properties of 5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine?
5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine has a molecular weight of 366.65 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine is sourced from PubChem (CID 13102727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).