2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride

C11H6Cl3NO3S — CID 112573023

IUPAC2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H6Cl3NO3S/c12-8-4-3-7(6-9(8)13)18-11-10(19(14,16)17)2-1-5-15-11/h1-6H
InChIKeyBXFNLZIEHYYPPM-UHFFFAOYSA-N
MW338.60 g/mol
LogP4.11
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride

2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride (PubChem CID 112573023) has the molecular formula C11H6Cl3NO3S and a molecular weight of 338.60 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride
PubChem CID112573023
Molecular FormulaC11H6Cl3NO3S
Molecular Weight338.60 g/mol
Exact Mass336.91
IUPAC Name2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H6Cl3NO3S/c12-8-4-3-7(6-9(8)13)18-11-10(19(14,16)17)2-1-5-15-11/h1-6H
InChIKeyBXFNLZIEHYYPPM-UHFFFAOYSA-N
XLogP4.11
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride (CID 112573023) is 2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cccnc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride?
The InChIKey is BXFNLZIEHYYPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO3S/c12-8-4-3-7(6-9(8)13)18-11-10(19(14,16)17)2-1-5-15-11/h1-6H.
What are the key properties of 2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride?
2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride has a molecular weight of 338.60 g/mol, XLogP of 4.11, 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)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 112573023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).