chempirical

5-[5-(Trifluoromethyl)isoxazol-3-yl]thiophene-2-sulfonyl chloride

C8H3ClF3NO3S2CAS 229956-98-3317.68 g/mol

Open in Covalent MOL file
SSOOClNOFFF
Alkyl halide

Properties

Molecular formula
C8H3ClF3NO3S2
Molar mass
317.68 g/mol
Exact mass
316.9195 Da
logP
3.35Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
229956-98-3
SMILES
C1=C(SC(=C1)S(=O)(=O)Cl)C2=NOC(=C2)C(F)(F)F
InChIKey
TWGONVLMWWEOFL-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF3NO3S2/c9-18(14,15)7-2-1-5(17-7)4-3-6(16-13-4)8(10,11)12/h1-3H

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Work with 5-[5-(Trifluoromethyl)isoxazol-3-yl]thiophene-2-sulfonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(2-Thienyl)-5-(trifluoromethyl)isoxazole175203-89-149 % similar 5-(2-Pyridyl)thiophene-2-sulfonyl chloride151858-64-948 % similar 5-Chloro-2-thiophenesulfonyl chloride2766-74-738 % similar 5-Bromo-2-thiophenesulfonyl chloride55854-46-137 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-634 % similar 3,5-Bis(trifluoromethyl)benzenesulfonyl chloride39234-86-134 % similar 2,5-Bis(trifluoromethyl)benzenesulfonyl chloride351003-22-034 % similar m-Trifluoromethylbenzenesulfonyl chloride777-44-634 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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