5-(4-Benzyl-1-piperazinyl)-2-(ethylsulfonyl)-phenylamine

C₁₉H₂₅N₃O₂SCAS 1219957-19-3359.49 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₉H₂₅N₃O₂S
Molar mass: 359.49 g/mol
Exact mass: 359.1667 Da
logP: 2.38Crippen estimate
Polar surface area: 66.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5

Identifiers

CAS number

1219957-19-3

SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)N

InChIKey

VSFZZCFEGIKUHD-UHFFFAOYSA-N

InChI

InChI=1S/C19H25N3O2S/c1-2-25(23,24)19-9-8-17(14-18(19)20)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15,20H2,1H3

Weigh it out

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

Work with 5-(4-Benzyl-1-piperazinyl)-2-(ethylsulfonyl)-phenylamine

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-{4-[3-Amino-4-(ethylsulfonyl)phenyl]-1-piperazinyl}-1-ethanol1220039-23-569 % similar 2-(Ethylsulfonyl)-5-(1-pyrrolidinyl)aniline1219972-54-968 % similar 4-(Ethylsulfonyl)-N1,N1-dipropyl-1,3-benzenediamine1219957-21-767 % similar 2-(Ethylsulfonyl)-5-(1-piperidinyl)aniline1220021-52-267 % similar 5-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(ethylsulfonyl)benzenamine1220039-24-664 % similar 2-(Ethylsulfonyl)-5-(4-morpholinyl)benzenamine1220034-99-064 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-263 % similar 4-(Ethylsulfonyl)-N1,N1-dimethyl-1,3-benzenediamine1220028-78-360 % similar

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

Elsewhere

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