3,5-Bis(trifluoromethyl)benzenesulphonylguanidine

C₉H₇F₆N₃O₂SCAS 175136-69-3335.22 g/mol

Open in Covalent MOL file

Alkyl halide Guanidine

Properties

Molecular formula: C₉H₇F₆N₃O₂S
Molar mass: 335.22 g/mol
Exact mass: 335.0163 Da
logP: 1.69Crippen estimate
Polar surface area: 98.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

175136-69-3

SMILES

C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)N=C(N)N)C(F)(F)F

InChIKey

WTARQWCVVSWPSK-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F6N3O2S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)21(19,20)18-7(16)17/h1-3H,(H4,16,17,18)

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Names and synonyms

1 names

3,5-Bis(trifluoromethyl)benzenesulfonyl guanidine

Work with 3,5-Bis(trifluoromethyl)benzenesulphonylguanidine

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

3,5-Bis(trifluoromethyl)benzenesulfonyl chloride39234-86-147 % similar 3,5-Bis(trifluoromethyl)phenyl isocyanate16588-74-239 % similar N-[3,5-Bis(trifluoromethyl)phenyl]hydrazinecarbothioamide38901-31-439 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-538 % similar 3,5-Bis(trifluoromethyl)benzohydrazide26107-82-437 % similar [3,5-Bis(trifluoromethyl)phenyl]hydrazine886-35-136 % similar Bis (trifluoromethyl)acetophenone30071-93-336 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-336 % similar

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

Elsewhere

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