4-(fluoromethyl)pyridine-3-sulfonyl chloride

C6H5ClFNO2S — CID 129453019

IUPAC4-(fluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnccc1CF
InChIInChI=1S/C6H5ClFNO2S/c7-12(10,11)6-4-9-2-1-5(6)3-8/h1-2,4H,3H2
InChIKeyKOLWJWIAIZRKON-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.48
Rot. Bonds2

About 4-(fluoromethyl)pyridine-3-sulfonyl chloride

4-(fluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 129453019) has the molecular formula C6H5ClFNO2S and a molecular weight of 209.63 g/mol. Its IUPAC name is 4-(fluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(fluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID129453019
Molecular FormulaC6H5ClFNO2S
Molecular Weight209.63 g/mol
Exact Mass208.97
IUPAC Name4-(fluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnccc1CF
InChIInChI=1S/C6H5ClFNO2S/c7-12(10,11)6-4-9-2-1-5(6)3-8/h1-2,4H,3H2
InChIKeyKOLWJWIAIZRKON-UHFFFAOYSA-N
XLogP1.48
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(fluoromethyl)pyridine
CID 105427398
(3-fluoro-4-pyridinyl)methanesulfonyl chloride
CID 84677272
(3-methyl-4-pyridinyl)methanesulfonyl chloride
CID 130516221
2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82912787
8-chloroisoquinoline-5-sulfonyl chloride
CID 71314751
4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine
CID 59574840
1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
CID 83821681
2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 82909777
5-chloro-4-fluoropyridine-3-sulfonyl chloride
CID 130775425
2-(fluoromethyl)benzenesulfonic acid;hydrochloride
CID 174958373
4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82912389
fluoromethanesulfonic acid;isoquinoline
CID 161311899

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-(fluoromethyl)pyridine-3-sulfonyl chloride (CID 129453019) is 4-(fluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-(fluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-(fluoromethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnccc1CF.
What is the InChIKey of 4-(fluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is KOLWJWIAIZRKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO2S/c7-12(10,11)6-4-9-2-1-5(6)3-8/h1-2,4H,3H2.
What are the key properties of 4-(fluoromethyl)pyridine-3-sulfonyl chloride?
4-(fluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 209.63 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 129453019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).