chempirical

Benzenesulfonamide, 5-(phenylsulfonyl)-N-4-piperidinyl-2-(trifluoromethyl)-

C18H19F3N2O4S2CAS 915759-45-4448.48 g/mol

Open in Covalent MOL file
NHHNSOOSOOFFF
Alkyl halideSecondary amineSulfonamideSulfone

Properties

Molecular formula
C18H19F3N2O4S2
Molar mass
448.48 g/mol
Exact mass
448.0738 Da
logP
2.57Crippen estimate
Polar surface area
92.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

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
915759-45-4
SMILES
C1CNCCC1NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)C(F)(F)F
InChIKey
ITBGJNVZJBVPLJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H19F3N2O4S2/c19-18(20,21)16-7-6-15(28(24,25)14-4-2-1-3-5-14)12-17(16)29(26,27)23-13-8-10-22-11-9-13/h1-7,12-13,22-23H,8-11H2

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Work with Benzenesulfonamide, 5-(phenylsulfonyl)-N-4-piperidinyl-2-(trifluoromethyl)-

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

Bendroflumethiazide73-48-338 % similar 2,4-Bis(phenylsulfonyl)phenol177325-75-637 % similar 2-(Trifluoromethyl)benzenesulfonamide1869-24-533 % similar 2-Trifluoromethylbenzenesulphonyl chloride776-04-533 % similar Intepirdine607742-69-833 % similar Diphenyl sulfone127-63-933 % similar 1-[2-(Trifluoromethyl)phenyl]piperazine63854-31-932 % similar N-Cyclohexyl-4-toluenesulfonamide80-30-831 % similar

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

Elsewhere

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