4-(Methylsulfonyl)aniline

C7H9NO2SCAS 5470-49-5171.21 g/mol

Open in Covalent MOL file
SOONH2
Primary amineSulfone

Properties

Molecular formula
C7H9NO2S
Molar mass
171.21 g/mol
Exact mass
171.0354 Da
Melting point
133 °C
logP
0.67Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
5470-49-5
SMILES
CS(=O)(=O)c1ccc(N)cc1
InChIKey
XJEVFFNOMKXBLU-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Benzenamine, 4-(methylsulfonyl)-
  • Aniline, p-(methylsulfonyl)-
  • 4-(Methylsulfonyl)benzenamine
  • p-Aminophenyl methyl sulfone
  • p-(Methylsulfonyl)aniline
  • 4-Aminophenyl methyl sulfone
  • p-Mesylaniline
  • [(4-Aminophenyl)sulfonyl]methane
  • Methyl 4-aminophenyl sulfone
  • 4-(Methanesulfonyl)aniline
  • 4-Methylsulfonylphenylamine
  • NSC 229035
  • NSC 27552
  • 4-Methanesulfonylphenylamine
  • p-[Methylsulfonyl]phenylamine

Work with 4-(Methylsulfonyl)aniline

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

Methyl p-tolyl sulfone3185-99-758 % similar p-Tolyl methyl sulfone59203-01-958 % similar p-(Methylsulfonyl)phenylhydrazine877-66-757 % similar Methyl phenyl sulfone3112-85-456 % similar Dapsone80-08-056 % similar 4-(Methylsulfonyl)phenol14763-60-156 % similar 1-Bromo-4-(methylsulphonyl)benzene3466-32-856 % similar 4-Fluorophenyl methyl sulfone455-15-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Phenylmethanesulfonamide1197-22-4 (R)-2-Amino-3-(thiophen-3-yl)propanoic acid152612-26-5 2-Thienylalanine2021-58-1 Ethyl 4-methylthiazole-5-carboxylate20582-55-2 L-2-Thienylalanine22951-96-8 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-5 Ethyl 2-aminothiophene-3-carboxylate31891-06-2 3-(Methylsulphonyl)aniline35216-39-8

Elsewhere

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