4-Nitrobenzenesulfonamide

C6H6N2O4SCAS 6325-93-5202.18 g/mol

Open in Covalent MOL file
H2NSOON+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

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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 1-(Methylsulfonyl)-4-nitrobenzene2976-30-958 % similar 4-Nitrobenzenesulfonyl chloride98-74-858 % similar 4-Fluoro-3-nitrobenzenesulfonamide406233-31-655 % similar 2-Methyl-5-nitrobenzene-1-sulfonamide6269-91-655 % similar 4-Methyl-3-nitrobenzenesulfonamide6949-23-155 % similar 2-Chloro-5-nitrobenzenesulfonamide96-72-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrobenzenesulfonamide121-52-8 2-Nitrobenzenesulfonamide5455-59-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook