1,1′-[(1-Methylethylidene)di-4,1-phenylene] bis(2-aminobenzenesulfonate)

C₂₇H₂₆N₂O₆S₂CAS 68015-60-1538.63 g/mol

Open in Covalent MOL file

Primary amine Sulfonate ester

Properties

Molecular formula: C₂₇H₂₆N₂O₆S₂
Molar mass: 538.63 g/mol
Exact mass: 538.1232 Da
Melting point: 158–159 °C
logP: 4.71Crippen estimate
Polar surface area: 138.8 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 8

Identifiers

CAS number

68015-60-1

SMILES

CC(C)(c1ccc(OS(=O)(=O)c2ccccc2N)cc1)c1ccc(OS(=O)(=O)c2ccccc2N)cc1

InChIKey

XSHPYHIIELUPAR-UHFFFAOYSA-N

InChI

InChI=1S/C27H26N2O6S2/c1-27(2,19-11-15-21(16-12-19)34-36(30,31)25-9-5-3-7-23(25)28)20-13-17-22(18-14-20)35-37(32,33)26-10-6-4-8-24(26)29/h3-18H,28-29H2,1-2H3

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

Names and synonyms

2 names

Benzenesulfonic acid, 2-amino-, 1,1′-[(1-methylethylidene)di-4,1-phenylene] ester
Benzenesulfonic acid, 2-amino-, (1-methylethylidene)di-4,1-phenylene ester

Work with 1,1′-[(1-Methylethylidene)di-4,1-phenylene] bis(2-aminobenzenesulfonate)

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

Phenyl 2-aminobenzenesulfonate68227-69-068 % similar 2,2-Bis[4-(4-aminophenoxy)phenyl]propane13080-86-940 % similar Bisphenol A bis(diphenyl phosphate)5945-33-540 % similar 2-Aminobenzenesulfonamide3306-62-539 % similar Bisphenol A dicyanate1156-51-038 % similar Orthanilic acid88-21-138 % similar 2-(Phenylsulfonyl)aniline4273-98-737 % similar Bisphenol A diacetate10192-62-836 % similar

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

Elsewhere

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