2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride

C6H6ClFN2O2S — CID 122701357

IUPAC2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ncc(F)cn1
InChIInChI=1S/C6H6ClFN2O2S/c7-13(11,12)2-1-6-9-3-5(8)4-10-6/h3-4H,1-2H2
InChIKeySJRIWPICKUNRPW-UHFFFAOYSA-N
MW224.64 g/mol
LogP0.73
Rot. Bonds3

About 2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride

2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride (PubChem CID 122701357) has the molecular formula C6H6ClFN2O2S and a molecular weight of 224.64 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride
PubChem CID122701357
Molecular FormulaC6H6ClFN2O2S
Molecular Weight224.64 g/mol
Exact Mass223.98
IUPAC Name2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ncc(F)cn1
InChIInChI=1S/C6H6ClFN2O2S/c7-13(11,12)2-1-6-9-3-5(8)4-10-6/h3-4H,1-2H2
InChIKeySJRIWPICKUNRPW-UHFFFAOYSA-N
XLogP0.73
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride (CID 122701357) is 2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1ncc(F)cn1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride?
The InChIKey is SJRIWPICKUNRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O2S/c7-13(11,12)2-1-6-9-3-5(8)4-10-6/h3-4H,1-2H2.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride?
2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride has a molecular weight of 224.64 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)ethanesulfonyl chloride is sourced from PubChem (CID 122701357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).