chempirical

4-Nitrobenzenesulfonamide

C6H6N2O4SCAS 6325-93-5202.18 g/mol

Open in Covalent MOL file
NH2SOON+OO−
NitroSulfonamide

Properties

Molecular formula
C6H6N2O4S
Molar mass
202.18 g/mol
Exact mass
202.0048 Da
Melting point
178–180 °C
logP
0.24Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
6325-93-5
SMILES
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
QWKKYJLAUWFPDB-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)

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

Names and synonyms

7 names
  • Benzenesulfonamide, 4-nitro-
  • Benzenesulfonamide, p-nitro-
  • p-Nitrobenzenesulfonamide
  • 4-Nitrobenzolsulfonamide
  • p-Nitrophenylsulfonamide
  • Nosylamide
  • NSC 31148

Work with 4-Nitrobenzenesulfonamide

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

1,4-Dinitrobenzene100-25-458 % similar 4-Nitrobenzenesulfonic acid138-42-158 % similar 4-Nitrobenzenesulfonyl chloride98-74-858 % similar 4-Methyl-3-nitrobenzenesulfonamide6949-23-155 % similar 2-Chloro-5-nitrobenzenesulfonamide96-72-055 % similar 4-Chloro-3-nitrobenzenesulfonamide97-09-655 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-152 % similar 4-Nitroaniline100-01-652 % similar

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

Same formula

3-Nitrobenzenesulfonamide121-52-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook