3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride

C9H11ClFNO3S — CID 165492974

IUPAC3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride
SMILESCC(COc1cncc(F)c1)CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClFNO3S/c1-7(6-16(10,13)14)5-15-9-2-8(11)3-12-4-9/h2-4,7H,5-6H2,1H3
InChIKeyHSPHRITWQZUROG-UHFFFAOYSA-N
MW267.71 g/mol
LogP1.80
Rot. Bonds5

About 3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride

3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride (PubChem CID 165492974) has the molecular formula C9H11ClFNO3S and a molecular weight of 267.71 g/mol. Its IUPAC name is 3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride
PubChem CID165492974
Molecular FormulaC9H11ClFNO3S
Molecular Weight267.71 g/mol
Exact Mass267.01
IUPAC Name3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride
SMILESCC(COc1cncc(F)c1)CS(=O)(=O)Cl
InChIInChI=1S/C9H11ClFNO3S/c1-7(6-16(10,13)14)5-15-9-2-8(11)3-12-4-9/h2-4,7H,5-6H2,1H3
InChIKeyHSPHRITWQZUROG-UHFFFAOYSA-N
XLogP1.80
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-5-fluorophenoxy)-2-methylpropane-1-sulfonyl chloride
CID 81326102
3-(4-bromo-3-methylphenoxy)-2-methylpropane-1-sulfonyl chloride
CID 83134690
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropane-1-sulfonyl chloride
CID 102715052
3-(3-bromo-5-nitrophenoxy)-2-methylpropane-1-sulfonyl chloride
CID 103589524
2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine
CID 112676085
2-[(4-fluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonyl chloride
CID 65015202
5-(2-methylpentoxy)pyridin-3-amine
CID 103286421
(5-fluoro-3-pyridinyl) carbonochloridate
CID 130700465
3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide
CID 83234776
5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65034557
methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
CID 103493492
3-(2,2-difluoroethoxy)-5-ethoxypyridine
CID 150828183

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride (CID 165492974) is 3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride is CC(COc1cncc(F)c1)CS(=O)(=O)Cl.
What is the InChIKey of 3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride?
The InChIKey is HSPHRITWQZUROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO3S/c1-7(6-16(10,13)14)5-15-9-2-8(11)3-12-4-9/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride?
3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride has a molecular weight of 267.71 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 165492974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).