4,4′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine]

C₂₄H₂₀N₂O₄SCAS 13080-89-2432.49 g/mol

Open in Covalent MOL file

Ether Primary amine Sulfone

Properties

Molecular formula: C₂₄H₂₀N₂O₄S
Molar mass: 432.49 g/mol
Exact mass: 432.1144 Da
Melting point: 188–191 °C
logP: 5.27Crippen estimate
Polar surface area: 104.6 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13080-89-2

SMILES

Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1

InChIKey

UTDAGHZGKXPRQI-UHFFFAOYSA-N

InChI

InChI=1S/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2

Weigh it out

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

Names and synonyms

10 names

Benzenamine, 4,4′-[sulfonylbis(4,1-phenyleneoxy)]bis-
Aniline, 4,4′-[sulfonylbis(p-phenyleneoxy)]di-
Bis[4-(4-aminophenoxy)phenyl] sulfone
Bis[p-(p-aminophenoxy)phenyl] sulfone
4,4′-[Sulfonylbis(p-phenyleneoxy)]dianiline
4,4′-Bis(4-aminophenoxy)diphenyl sulfone
SED
Bis[4-(4′-aminophenoxy)phenyl) sulfone
4,4′-(Sulfonylbis(4,1-phenylene))bis(oxy)dianiline
4,4'-(Sulfonylbis(4,1-phenyleneoxy))bis(benzenamine)

Work with 4,4′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine]

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

Dapsone80-08-075 % similar 4,4′-Diaminodiphenyl ether101-80-463 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-163 % similar 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-656 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-856 % similar (4-Aminophenoxy)benzene139-59-354 % similar 4-(4-Chlorophenoxy)benzenamine101-79-150 % similar 4,4′-[1,3-Phenylenebis(oxy)]bis[benzenamine]2479-46-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine]30203-11-3

Elsewhere

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