4-Methyl-3-nitrobenzenesulfonamide

C7H8N2O4SCAS 6949-23-1216.21 g/mol

Open in Covalent MOL file
SNH2OON+OO−
NitroSulfonamide

Properties

Molecular formula
C7H8N2O4S
Molar mass
216.21 g/mol
Exact mass
216.0205 Da
Melting point
142 °C
logP
0.55Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
6949-23-1
SMILES
Cc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIKey
HVCWTENLJRUJPU-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3,(H2,8,12,13)

Weigh it out

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

Names and synonyms

6 names
  • Benzenesulfonamide, 4-methyl-3-nitro-
  • p-Toluenesulfonamide, 3-nitro-
  • m-Nitro-p-toluenesulfonamide
  • NSC 25155
  • NSC 64475
  • 2-Nitrotoluene-4-sulphonamide

Work with 4-Methyl-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-Methyl-4-(methylsulfonyl)-2-nitrobenzene1671-49-467 % similar 4-Fluoro-3-nitrobenzenesulfonamide406233-31-665 % similar 4-Methyl-3-nitrobenzenesulfonyl chloride616-83-165 % similar 4-Chloro-3-nitrobenzenesulfonamide97-09-665 % similar 4-Methyl-3-nitroaniline119-32-456 % similar 2,4-Dinitrotoluene121-14-255 % similar 4-Nitrobenzenesulfonamide6325-93-555 % similar 1,4-Dimethyl-2-nitrobenzene89-58-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-(aminosulfonyl)benzoic acid137-65-5 2-Methyl-5-nitrobenzene-1-sulfonamide6269-91-6 2-(Methylsulfonyl)-4-nitrobenzenamine96-74-2

Elsewhere

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