chempirical

2-[(p-Aminophenyl)sulfonyl]ethyl hydrogen sulfate

C8H11NO6S2CAS 2494-89-5281.30 g/mol

Open in Covalent MOL file
H2NSOOOSOOOH
Primary amineSulfone

Properties

Molecular formula
C8H11NO6S2
Molar mass
281.30 g/mol
Exact mass
281.0028 Da
logP
-0.14Crippen estimate
Polar surface area
123.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Identifiers

CAS number
2494-89-5
SMILES
Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1
InChIKey
IALORYHODRVWKZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14)

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

Names and synonyms

23 names · show all
  • Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate)
  • Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester)
  • Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester)
  • Ethanol, 2-sulfanilyl-, hydrogen sulfate
  • 4-[(β-Sulfooxyethyl)sulfonyl]aniline
  • 4-Aminophenyl β-sulfatoethyl sulfone
  • 4-(β-Sulfatoethylsulfonyl)aniline
  • 4-(2-Sulfatoethylsulfonyl)aniline
  • p-(2-Sulfatoethylsulfonyl)aniline
  • 4-Amino-1-β-sulfatoethylsulfonylbenzene
  • 4-Aminophenyl 2-sulfatoethyl sulfone
  • p-(β-Sulfatoethylsulfonyl)aniline
  • 2-[(4-Aminophenyl)sulfonyl]ethyl hydrogen sulfate
  • p-Aminophenyl β-sulfatoethyl sulfone
  • p-Aminophenyl 2-sulfatoethyl sulfone
  • 2-(4-Aminophenylsulfonyl)ethyl bisulfate
  • Para base sulfate
  • 1-Aminobenzene-4-β-sulfatoethylsulfone
  • 2-(4-Aminobenzenesulfonyl)ethyl sulfate
  • 4-Aminophenyl β-hydroxyethyl sulfone sulfate ester
  • 1-Aminobenzene-4-(2-sulfatoethyl)sulfone
  • [2-[(4-Aminobenzene)sulfonyl]ethoxy]sulfonic acid
  • 4-(Ethylsulfuratesulfonyl) aniline

Work with 2-[(p-Aminophenyl)sulfonyl]ethyl hydrogen sulfate

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

Sulfanilic acid121-57-343 % similar Ethanolamine-O-sulfate926-39-641 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-539 % similar 4-(Morpholinosulfonyl)aniline21626-70-039 % similar 4,4′-Diaminobenzenesulfonanilide16803-97-738 % similar 4-Aminoazobenzene-4′-sulfonic acid104-23-437 % similar Sulfanilamide63-74-137 % similar 4,4′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine]13080-89-237 % similar

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

Elsewhere

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