chempirical

3-Nitrobenzenesulfonamide

C6H6N2O4SCAS 121-52-8202.18 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
167 °C
logP
0.24Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
121-52-8
SMILES
NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIKey
TXTQURPQLVHJRE-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(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

6 names
  • Benzenesulfonamide, 3-nitro-
  • Benzenesulfonamide, m-nitro-
  • m-Nitrobenzenesulfonamide
  • 3-Nitrobenzolesulfamide
  • NSC 407487
  • 3-Nitrobenzene-1-sulfonamide

Work with 3-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

1,1′-Sulfonylbis[3-nitrobenzene]1228-53-168 % similar 3-Nitrobenzenesulfonyl chloride121-51-762 % similar 3-Nitrobenzenesulfonic acid98-47-562 % similar Nitrol S127-68-461 % similar 1,3-Dinitrobenzene99-65-058 % similar 2-Chloro-5-nitrobenzenesulfonamide96-72-057 % similar 4-Chloro-3-nitrobenzenesulfonamide97-09-657 % similar 4-Methyl-3-nitrobenzenesulfonamide6949-23-154 % similar

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

Same formula

4-Nitrobenzenesulfonamide6325-93-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook