chempirical

4-Acetamidobenzenesulfonyl azide

C8H8N4O3SCAS 2158-14-7240.24 g/mol

Open in Covalent MOL file
OHNSOONN+N−
Azide

Properties

Molecular formula
C8H8N4O3S
Molar mass
240.24 g/mol
Exact mass
240.0317 Da
Melting point
107 °C
logP
2.29Crippen estimate
Polar surface area
115.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
2158-14-7
SMILES
CC(O)=Nc1ccc(S(=O)(=O)N=[N+]=[N-])cc1
InChIKey
NTMHWRHEGDRTPD-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N4O3S/c1-6(13)10-7-2-4-8(5-3-7)16(14,15)12-11-9/h2-5H,1H3,(H,10,13)

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Names and synonyms

9 names
  • Benzenesulfonyl azide, 4-(acetylamino)-
  • Sulfanilyl azide, N-acetyl-
  • 4-(Acetylamino)benzenesulfonyl azide
  • p-Acetamidobenzenesulfonyl azide
  • 4-Acetamidophenylsulfonyl azide
  • NSC 82543
  • N-(4-Azidosulfonylphenyl)acetamide
  • p-ABSA
  • 4-Acetamidobenzene-1-sulfonyl azide

Work with 4-Acetamidobenzenesulfonyl azide

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

2-Acetylaminofluorene53-96-335 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook