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

C6H6ClF3N2O2S2 — CID 60892146

IUPAC2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C6H6ClF3N2O2S2/c1-12(3-6(8,9)10)16(13,14)4-2-11-5(7)15-4/h2H,3H2,1H3
InChIKeyQLNHTRHXQXCRDA-UHFFFAOYSA-N
MW294.71 g/mol
LogP1.98
Rot. Bonds3

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

2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 60892146) has the molecular formula C6H6ClF3N2O2S2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID60892146
Molecular FormulaC6H6ClF3N2O2S2
Molecular Weight294.71 g/mol
Exact Mass293.95
IUPAC Name2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C6H6ClF3N2O2S2/c1-12(3-6(8,9)10)16(13,14)4-2-11-5(7)15-4/h2H,3H2,1H3
InChIKeyQLNHTRHXQXCRDA-UHFFFAOYSA-N
XLogP1.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Thiazole-5-sulfonamide
CID 23075930
2-Chloro-1,3-thiazole-5-sulfonamide
CID 22019518
2-Methylthiazole-5-sulfonamide
CID 13517396
2-Chloro-1,3-thiazole-5-sulfonyl chloride
CID 16228943
2-Methyl-1,3-thiazole-5-sulfonyl chloride
CID 53441758
2-(1,1-Difluoroethyl)-1,3-thiazole-5-sulfonylchloride
CID 155973595
2-Methoxy-1,3-thiazole-5-sulfonyl fluoride
CID 122235983
5-Thiazolesulfonyl fluoride, 2-methyl-
CID 125454234
2-Chloro-1,3-thiazole-5-sulfonyl fluoride
CID 165453591
5-Methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole
CID 21394715
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonic acid
CID 21459849
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride
CID 106784106

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 60892146) is 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is QLNHTRHXQXCRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2O2S2/c1-12(3-6(8,9)10)16(13,14)4-2-11-5(7)15-4/h2H,3H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 294.71 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60892146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).