(4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride

C6H8ClNO3S — CID 154809674

IUPAC(4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride
SMILESCCc1conc1CS(=O)(=O)Cl
InChIInChI=1S/C6H8ClNO3S/c1-2-5-3-11-8-6(5)4-12(7,9)10/h3H,2,4H2,1H3
InChIKeyCXAXSCNNFOQZBD-UHFFFAOYSA-N
MW209.65 g/mol
LogP1.31
Rot. Bonds3

About (4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride

(4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride (PubChem CID 154809674) has the molecular formula C6H8ClNO3S and a molecular weight of 209.65 g/mol. Its IUPAC name is (4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride
PubChem CID154809674
Molecular FormulaC6H8ClNO3S
Molecular Weight209.65 g/mol
Exact Mass208.99
IUPAC Name(4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride
SMILESCCc1conc1CS(=O)(=O)Cl
InChIInChI=1S/C6H8ClNO3S/c1-2-5-3-11-8-6(5)4-12(7,9)10/h3H,2,4H2,1H3
InChIKeyCXAXSCNNFOQZBD-UHFFFAOYSA-N
XLogP1.31
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The IUPAC name of (4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride (CID 154809674) is (4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The canonical SMILES for (4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride is CCc1conc1CS(=O)(=O)Cl.
What is the InChIKey of (4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The InChIKey is CXAXSCNNFOQZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO3S/c1-2-5-3-11-8-6(5)4-12(7,9)10/h3H,2,4H2,1H3.
What are the key properties of (4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
(4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride has a molecular weight of 209.65 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 154809674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).