chempirical

Sr3335

C13H9F6NO3S2CAS 293753-05-6405.33 g/mol

Open in Covalent MOL file
SSOOHNFFFFFFOH
AlcoholAlkyl halideSulfonamide

Properties

Molecular formula
C13H9F6NO3S2
Molar mass
405.33 g/mol
Exact mass
404.9928 Da
logP
3.86Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

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
293753-05-6
SMILES
C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
InChIKey
LZWUNZRMANFRAO-UHFFFAOYSA-N
InChI
InChI=1S/C13H9F6NO3S2/c14-12(15,16)11(21,13(17,18)19)8-3-5-9(6-4-8)20-25(22,23)10-2-1-7-24-10/h1-7,20-21H

Weigh it out

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

Work with Sr3335

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

N-tert-Butyl-2-thiophenesulfonamide100342-30-146 % similar 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol722-92-941 % similar α,α-Bis(trifluoromethyl)benzenemethanol718-64-940 % similar 2-Thiophenesulfonyl chloride16629-19-933 % similar 2-Methylsulfonylthiophene38695-60-233 % similar 2-Thiophenesulfonamide6339-87-333 % similar N-(4-Hydroxyphenyl)benzenesulfonamide5471-90-932 % similar 2-Benzenesulfonylthiophene22407-40-531 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook