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

C5H4ClF3N2O2S2 — CID 43455886

IUPAC2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1cnc(Cl)s1
InChIInChI=1S/C5H4ClF3N2O2S2/c6-4-10-1-3(14-4)15(12,13)11-2-5(7,8)9/h1,11H,2H2
InChIKeyROYSVZQFTVODTQ-UHFFFAOYSA-N
MW280.68 g/mol
LogP1.64
Rot. Bonds3

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

2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43455886) has the molecular formula C5H4ClF3N2O2S2 and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID43455886
Molecular FormulaC5H4ClF3N2O2S2
Molecular Weight280.68 g/mol
Exact Mass279.94
IUPAC Name2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1cnc(Cl)s1
InChIInChI=1S/C5H4ClF3N2O2S2/c6-4-10-1-3(14-4)15(12,13)11-2-5(7,8)9/h1,11H,2H2
InChIKeyROYSVZQFTVODTQ-UHFFFAOYSA-N
XLogP1.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 51.64
H-Bond Donors ≤ 51
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 fluoride
CID 165453591
5-Methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole
CID 21394715
5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide
CID 70132837
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride
CID 106784106
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 106784107
2-(Difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 146571332
Imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-lambda6-sulfane
CID 146618911
2-(1,1-Difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 155973089
2-(Difluoromethyl)-1,3-thiazole-5-sulfonylchloride
CID 165640374

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 43455886) is 2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCC(F)(F)F)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is ROYSVZQFTVODTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2O2S2/c6-4-10-1-3(14-4)15(12,13)11-2-5(7,8)9/h1,11H,2H2.
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 280.68 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).