2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride

C14H14ClNO3S — CID 115928434

IUPAC2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride
SMILESCC(C)c1ccccc1Oc1ncccc1S(=O)(=O)Cl
InChIInChI=1S/C14H14ClNO3S/c1-10(2)11-6-3-4-7-12(11)19-14-13(20(15,17)18)8-5-9-16-14/h3-10H,1-2H3
InChIKeyUGAOCDMOADXWON-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.92
Rot. Bonds4

About 2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride

2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride (PubChem CID 115928434) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride
PubChem CID115928434
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride
SMILESCC(C)c1ccccc1Oc1ncccc1S(=O)(=O)Cl
InChIInChI=1S/C14H14ClNO3S/c1-10(2)11-6-3-4-7-12(11)19-14-13(20(15,17)18)8-5-9-16-14/h3-10H,1-2H3
InChIKeyUGAOCDMOADXWON-UHFFFAOYSA-N
XLogP3.92
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 112572880
2-phenoxypyridine-3-sulfonyl chloride
CID 112572899
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide
CID 115928526
[2-(2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255036
2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
CID 112573083
3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
CID 106877787
2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 112572968
2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride
CID 112573023
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 107168534
2-[(2-chlorophenyl)methoxy]pyridine-3-sulfonyl chloride
CID 112572936

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride (CID 115928434) is 2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride is CC(C)c1ccccc1Oc1ncccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride?
The InChIKey is UGAOCDMOADXWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10(2)11-6-3-4-7-12(11)19-14-13(20(15,17)18)8-5-9-16-14/h3-10H,1-2H3.
What are the key properties of 2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride?
2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride has a molecular weight of 311.79 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 115928434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).