2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide

C7H8ClF3N2O3S2 — CID 55261268

IUPAC2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)F)c1cnc(Cl)s1
InChIInChI=1S/C7H8ClF3N2O3S2/c8-6-12-3-5(17-6)18(14,15)13-1-2-16-4-7(9,10)11/h3,13H,1-2,4H2
InChIKeyHZANGJPXAZJZOM-UHFFFAOYSA-N
MW324.73 g/mol
LogP1.65
Rot. Bonds6

About 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 55261268) has the molecular formula C7H8ClF3N2O3S2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID55261268
Molecular FormulaC7H8ClF3N2O3S2
Molecular Weight324.73 g/mol
Exact Mass323.96
IUPAC Name2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)F)c1cnc(Cl)s1
InChIInChI=1S/C7H8ClF3N2O3S2/c8-6-12-3-5(17-6)18(14,15)13-1-2-16-4-7(9,10)11/h3,13H,1-2,4H2
InChIKeyHZANGJPXAZJZOM-UHFFFAOYSA-N
XLogP1.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide (CID 55261268) is 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(NCCOCC(F)(F)F)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is HZANGJPXAZJZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O3S2/c8-6-12-3-5(17-6)18(14,15)13-1-2-16-4-7(9,10)11/h3,13H,1-2,4H2.
What are the key properties of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 324.73 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55261268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).