1-Tosylpyrrole

C11H11NO2SCAS 17639-64-4221.27 g/mol

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Properties

Molecular formula
C11H11NO2S
Molar mass
221.27 g/mol
Exact mass
221.0510 Da
Melting point
134 °C
logP
2.03Crippen estimate
Polar surface area
39.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
17639-64-4
SMILES
Cc1ccc(S(=O)(=O)n2cccc2)cc1
InChIKey
OXWIEWFMRVJGNY-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3

Weigh it out

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Names and synonyms

13 names · show all
  • 1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-
  • Pyrrole, 1-(p-tolylsulfonyl)-
  • 1-[(4-Methylphenyl)sulfonyl]-1H-pyrrole
  • 1-(p-Tolylsulfonyl)pyrrole
  • 1-(p-Tolylsulfonyl)-1H-pyrrole
  • N-Tosylpyrrole
  • 1-(4-Methylphenylsulfonyl)pyrrole
  • 1-(p-Toluenesulfonyl)-1H-pyrrole
  • N-p-Toluenesulfonylpyrrole
  • 1-(p-Tosyl)-1H-pyrrole
  • 1-(4-Methylbenzenesulfonyl)-1H-pyrrole
  • 1-(Toluene-4-sulfonyl)-1H-pyrrole
  • 1-Tosyl-1H-pyrrole

Work with 1-Tosylpyrrole

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

1-(Phenylsulfonyl)-1H-pyrrole16851-82-464 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-862 % similar 1-(4-Methylbenzenesulfonyl)-1H-pyrrole-3-carboxylic acid106058-86-053 % similar 1-(4-Methylphenylsulfonyl)-1,2,4-triazole13578-51-349 % similar Methyl p-tolyl sulfone3185-99-745 % similar p-Tolyl methyl sulfone59203-01-945 % similar Nodinitib-1799264-47-444 % similar p-Toluenesulfonic acid104-15-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(3-Benzo(b)thienyl)alanine72120-71-9

Elsewhere

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