5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride

C6H5ClF3NO3S2 — CID 118164776

IUPAC5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride
SMILESCCOc1sc(C(F)(F)F)nc1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClF3NO3S2/c1-2-14-4-3(16(7,12)13)11-5(15-4)6(8,9)10/h2H2,1H3
InChIKeyJJEYEBAJNSWFKG-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.49
Rot. Bonds3

About 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride

5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride (PubChem CID 118164776) has the molecular formula C6H5ClF3NO3S2 and a molecular weight of 295.69 g/mol. Its IUPAC name is 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride
PubChem CID118164776
Molecular FormulaC6H5ClF3NO3S2
Molecular Weight295.69 g/mol
Exact Mass294.94
IUPAC Name5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride
SMILESCCOc1sc(C(F)(F)F)nc1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClF3NO3S2/c1-2-14-4-3(16(7,12)13)11-5(15-4)6(8,9)10/h2H2,1H3
InChIKeyJJEYEBAJNSWFKG-UHFFFAOYSA-N
XLogP2.49
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride?
The IUPAC name of 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride (CID 118164776) is 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride.
What is the SMILES notation for 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride?
The canonical SMILES for 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride is CCOc1sc(C(F)(F)F)nc1S(=O)(=O)Cl.
What is the InChIKey of 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride?
The InChIKey is JJEYEBAJNSWFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3NO3S2/c1-2-14-4-3(16(7,12)13)11-5(15-4)6(8,9)10/h2H2,1H3.
What are the key properties of 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride?
5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride has a molecular weight of 295.69 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride is sourced from PubChem (CID 118164776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).