2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C7H8ClF3N2O2S2 — CID 55010800

IUPAC2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H8ClF3N2O2S2/c1-2-13(4-7(9,10)11)17(14,15)5-3-12-6(8)16-5/h3H,2,4H2,1H3
InChIKeyXFJGFEJSWXDMEF-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 55010800) has the molecular formula C7H8ClF3N2O2S2 and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID55010800
Molecular FormulaC7H8ClF3N2O2S2
Molecular Weight308.73 g/mol
Exact Mass307.97
IUPAC Name2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H8ClF3N2O2S2/c1-2-13(4-7(9,10)11)17(14,15)5-3-12-6(8)16-5/h3H,2,4H2,1H3
InChIKeyXFJGFEJSWXDMEF-UHFFFAOYSA-N
XLogP2.37
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 55010800) is 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is XFJGFEJSWXDMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O2S2/c1-2-13(4-7(9,10)11)17(14,15)5-3-12-6(8)16-5/h3H,2,4H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 308.73 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55010800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).