2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C8H10ClF3N2O2S2 — CID 55010751

IUPAC2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C8H10ClF3N2O2S2/c1-3-14(4-8(10,11)12)18(15,16)6-5(2)13-7(9)17-6/h3-4H2,1-2H3
InChIKeyHLIKBXZCIBSXRT-UHFFFAOYSA-N
MW322.76 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 55010751) has the molecular formula C8H10ClF3N2O2S2 and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID55010751
Molecular FormulaC8H10ClF3N2O2S2
Molecular Weight322.76 g/mol
Exact Mass321.98
IUPAC Name2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C8H10ClF3N2O2S2/c1-3-14(4-8(10,11)12)18(15,16)6-5(2)13-7(9)17-6/h3-4H2,1-2H3
InChIKeyHLIKBXZCIBSXRT-UHFFFAOYSA-N
XLogP2.68
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-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-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 55010751) is 2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is HLIKBXZCIBSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O2S2/c1-3-14(4-8(10,11)12)18(15,16)6-5(2)13-7(9)17-6/h3-4H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 322.76 g/mol, XLogP of 2.68, 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-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55010751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).