chempirical

4-Methyl-N-(4-nitrophenyl)benzenesulfonamide

C13H12N2O4SCAS 734-25-8292.31 g/mol

Open in Covalent MOL file
SOOHNN+OO−
NitroSulfonamide

Properties

Molecular formula
C13H12N2O4S
Molar mass
292.31 g/mol
Exact mass
292.0518 Da
Melting point
188 °C
logP
2.70Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
734-25-8
SMILES
Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIKey
ACOIHAFYVPPSOZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2O4S/c1-10-2-8-13(9-3-10)20(18,19)14-11-4-6-12(7-5-11)15(16)17/h2-9,14H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzenesulfonamide, 4-methyl-N-(4-nitrophenyl)-
  • p-Toluenesulfonanilide, 4′-nitro-
  • N-Tosyl-4-nitroaniline
  • N-Tosyl-p-nitroaniline
  • N-(4-Nitrophenyl)-p-toluenesulfonamide
  • NSC 49573
  • 1-Tosylamino-4-nitrobenzene

Work with 4-Methyl-N-(4-nitrophenyl)benzenesulfonamide

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

4-Nitrotoluene99-99-060 % similar N-Methyl-4-nitroaniline100-15-248 % similar 4-Nitrobenzenesulfonic acid138-42-145 % similar 4-Nitrobenzenesulfonamide6325-93-545 % similar 4-Nitrobenzenesulfonyl chloride98-74-845 % similar (4-Nitrophenyl)hydrazine100-16-345 % similar 4,4′-Diaminobenzenesulfonanilide16803-97-745 % similar N-Methyl-P-toluenesulfonamide640-61-945 % similar

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

Same formula

2-[(4,6-Dimethoxy-2-pyrimidinyl)thio]benzoic acid110284-79-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook