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

C4HClF3NO2S2 — CID 106784106

IUPAC2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C4HClF3NO2S2/c5-13(10,11)2-1-9-3(12-2)4(6,7)8/h1H
InChIKeyYGIHILUSEZKMMC-UHFFFAOYSA-N
MW251.64 g/mol
LogP2.09
Rot. Bonds1

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

2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride (PubChem CID 106784106) has the molecular formula C4HClF3NO2S2 and a molecular weight of 251.64 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride
PubChem CID106784106
Molecular FormulaC4HClF3NO2S2
Molecular Weight251.64 g/mol
Exact Mass250.91
IUPAC Name2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C4HClF3NO2S2/c5-13(10,11)2-1-9-3(12-2)4(6,7)8/h1H
InChIKeyYGIHILUSEZKMMC-UHFFFAOYSA-N
XLogP2.09
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride (CID 106784106) is 2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride is O=S(=O)(Cl)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is YGIHILUSEZKMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF3NO2S2/c5-13(10,11)2-1-9-3(12-2)4(6,7)8/h1H.
What are the key properties of 2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride?
2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 251.64 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 106784106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).