chempirical

2-(Phenylsulfonyl)aniline

C12H11NO2SCAS 4273-98-7233.29 g/mol

Open in Covalent MOL file
NH2SOO
Primary amineSulfone

Properties

Molecular formula
C12H11NO2S
Molar mass
233.29 g/mol
Exact mass
233.0510 Da
Melting point
118–120 °C
logP
2.10Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4273-98-7
SMILES
Nc1ccccc1S(=O)(=O)c1ccccc1
InChIKey
JBCUKQQIWSWEOK-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2

Weigh it out

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

Names and synonyms

15 names · show all
  • C.I. Azoic diazo component 18
  • Benzenamine, 2-(phenylsulfonyl)-
  • Aniline, o-(phenylsulfonyl)-
  • 2-(Phenylsulfonyl)benzenamine
  • C.I. 37060
  • Diazo fast orange LG
  • Fast orange LG salt
  • Fast orange salt LG
  • 2-Aminodiphenyl sulfone
  • o-Aminophenyl phenyl sulfone
  • 2-Aminophenyl phenyl sulfone
  • Fast red R base
  • Fast red RC base
  • Fast red RC salt
  • 2-(Benzenesulfonyl)aniline

Work with 2-(Phenylsulfonyl)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

Diphenyl sulfone127-63-956 % similar 2-Aminobenzenesulfonamide3306-62-553 % similar Orthanilic acid88-21-152 % similar Phenyl 2-aminobenzenesulfonate68227-69-050 % similar 2-Nitrophenyl phenyl sulfone31515-43-247 % similar 2-(Propane-2-sulfonyl)aniline76697-50-247 % similar 2,4-Bis(phenylsulfonyl)phenol177325-75-644 % similar 4-Chlorophenyl phenyl sulfone80-00-244 % similar

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

Same formula

Methyl 3-amino-5-phenylthiophene-2-carboxylate100063-22-7 2-(5-Methyl-2-phenylthiazole-4-yl)acetic acid101736-22-5 N-Phenylbenzenesulfonamide1678-25-7

Elsewhere

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