4,4′-Oxybis[benzenesulfonyl chloride]

C₁₂H₈Cl₂O₅S₂CAS 121-63-1367.21 g/mol

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Properties

Molecular formula: C₁₂H₈Cl₂O₅S₂
Molar mass: 367.21 g/mol
Exact mass: 365.9190 Da
Melting point: 128–129 °C
logP: 3.33Crippen estimate
Polar surface area: 77.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Identifiers

CAS number

121-63-1

SMILES

O=S(=O)(Cl)c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1

InChIKey

HJKXLQIPODSWMB-UHFFFAOYSA-N

InChI

InChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H

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Names and synonyms

13 names · show all

Benzenesulfonyl chloride, 4,4′-oxybis-
Benzenesulfonyl chloride, 4,4′-oxydi-
4,4′-Oxydibenzenesulfonyl chloride
Diphenyl ether 4,4′-disulfonyl chloride
Oxybis(benzenesulfonyl chloride)
Bis(4-chlorosulfonylphenyl) ether
p,p′-Oxybis(benzenesulfonyl chloride)
4,4′-Oxybis(benzenesulfonyl chloride)
Oxybis(4-benzenesulfonyl chloride)
Phenoxybenzene-4,4′-disulfonyl chloride
4,4′-Bis(chlorosulfonyl)biphenyl ether
4,4′-Bis(chlorosulfonyl)diphenyl ether
NSC 212

Work with 4,4′-Oxybis[benzenesulfonyl chloride]

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

4-Methoxybenzenesulfonyl chloride98-68-067 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-663 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-860 % similar 4-(Trifluoromethoxy)benzenesulfonyl chloride94108-56-260 % similar 4-Chlorobenzenesulfonyl chloride98-60-258 % similar Benzenesulfonyl chloride98-09-956 % similar 4-Fluorobenzenesulfonyl chloride349-88-256 % similar 4-Bromobenzenesulfonyl chloride98-58-856 % similar

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

Elsewhere

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