2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide

C7H8ClF3N2O3S2 — CID 113317196

IUPAC2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H8ClF3N2O3S2/c1-3-5(17-6(8)13-3)18(15,16)12-2-4(14)7(9,10)11/h4,12,14H,2H2,1H3
InChIKeyBMMRRDMGAQYMEA-UHFFFAOYSA-N
MW324.73 g/mol
LogP1.31
Rot. Bonds4

About 2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 113317196) has the molecular formula C7H8ClF3N2O3S2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
PubChem CID113317196
Molecular FormulaC7H8ClF3N2O3S2
Molecular Weight324.73 g/mol
Exact Mass323.96
IUPAC Name2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H8ClF3N2O3S2/c1-3-5(17-6(8)13-3)18(15,16)12-2-4(14)7(9,10)11/h4,12,14H,2H2,1H3
InChIKeyBMMRRDMGAQYMEA-UHFFFAOYSA-N
XLogP1.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-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-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide (CID 113317196) is 2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is BMMRRDMGAQYMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O3S2/c1-3-5(17-6(8)13-3)18(15,16)12-2-4(14)7(9,10)11/h4,12,14H,2H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 324.73 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 113317196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).