2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide

C8H10ClF3N2O3S2 — CID 55261076

IUPAC2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H10ClF3N2O3S2/c1-5-6(18-7(9)14-5)19(15,16)13-2-3-17-4-8(10,11)12/h13H,2-4H2,1H3
InChIKeyDFZNLEYAGZVSRS-UHFFFAOYSA-N
MW338.76 g/mol
LogP1.96
Rot. Bonds6

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

2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 55261076) has the molecular formula C8H10ClF3N2O3S2 and a molecular weight of 338.76 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID55261076
Molecular FormulaC8H10ClF3N2O3S2
Molecular Weight338.76 g/mol
Exact Mass337.98
IUPAC Name2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H10ClF3N2O3S2/c1-5-6(18-7(9)14-5)19(15,16)13-2-3-17-4-8(10,11)12/h13H,2-4H2,1H3
InChIKeyDFZNLEYAGZVSRS-UHFFFAOYSA-N
XLogP1.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide (CID 55261076) is 2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is DFZNLEYAGZVSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O3S2/c1-5-6(18-7(9)14-5)19(15,16)13-2-3-17-4-8(10,11)12/h13H,2-4H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 338.76 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55261076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).