2,5-Bis(trifluoromethyl)benzenesulfonyl chloride

C₈H₃ClF₆O₂SCAS 351003-22-0312.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₃ClF₆O₂S
Molar mass: 312.61 g/mol
Exact mass: 311.9446 Da
logP: 3.65Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

351003-22-0

SMILES

O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1C(F)(F)F

InChIKey

KMEJLLXSUGLEDJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzenesulfonyl chloride, 2,5-bis(trifluoromethyl)-
2,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride

Work with 2,5-Bis(trifluoromethyl)benzenesulfonyl 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

2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-464 % similar 2-(Trifluoromethyl)benzenesulfonyl chloride776-04-564 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-658 % similar 5-(Trifluoromethyl)-2-pyridinesulfonyl chloride174485-72-450 % similar 2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-76-249 % similar 4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride351003-47-948 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-246 % similar 2,5-Bis(trifluoromethyl)benzoic acid42580-42-743 % similar

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

Same formula

3,5-Bis(trifluoromethyl)benzenesulfonyl chloride39234-86-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook