(2-ethylpyrimidin-4-yl)methanesulfonyl chloride

C7H9ClN2O2S — CID 105476865

IUPAC(2-ethylpyrimidin-4-yl)methanesulfonyl chloride
SMILESCCc1nccc(CS(=O)(=O)Cl)n1
InChIInChI=1S/C7H9ClN2O2S/c1-2-7-9-4-3-6(10-7)5-13(8,11)12/h3-4H,2,5H2,1H3
InChIKeyRUXCUIWOXCCWBF-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.11
Rot. Bonds3

About (2-ethylpyrimidin-4-yl)methanesulfonyl chloride

(2-ethylpyrimidin-4-yl)methanesulfonyl chloride (PubChem CID 105476865) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is (2-ethylpyrimidin-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-ethylpyrimidin-4-yl)methanesulfonyl chloride
PubChem CID105476865
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name(2-ethylpyrimidin-4-yl)methanesulfonyl chloride
SMILESCCc1nccc(CS(=O)(=O)Cl)n1
InChIInChI=1S/C7H9ClN2O2S/c1-2-7-9-4-3-6(10-7)5-13(8,11)12/h3-4H,2,5H2,1H3
InChIKeyRUXCUIWOXCCWBF-UHFFFAOYSA-N
XLogP1.11
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-4-yl)methanesulfonyl chloride?
The IUPAC name of (2-ethylpyrimidin-4-yl)methanesulfonyl chloride (CID 105476865) is (2-ethylpyrimidin-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (2-ethylpyrimidin-4-yl)methanesulfonyl chloride?
The canonical SMILES for (2-ethylpyrimidin-4-yl)methanesulfonyl chloride is CCc1nccc(CS(=O)(=O)Cl)n1.
What is the InChIKey of (2-ethylpyrimidin-4-yl)methanesulfonyl chloride?
The InChIKey is RUXCUIWOXCCWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-2-7-9-4-3-6(10-7)5-13(8,11)12/h3-4H,2,5H2,1H3.
What are the key properties of (2-ethylpyrimidin-4-yl)methanesulfonyl chloride?
(2-ethylpyrimidin-4-yl)methanesulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 105476865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).