2-(Methylsulfonyl)-4-nitrobenzenamine

C7H8N2O4SCAS 96-74-2216.21 g/mol

Open in Covalent MOL file
SOON+OO−H2N
NitroPrimary amineSulfone

Properties

Molecular formula
C7H8N2O4S
Molar mass
216.21 g/mol
Exact mass
216.0205 Da
Melting point
203–204 °C
logP
0.58Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
96-74-2
SMILES
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIKey
KIMXIMWZIRTKCQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3

Weigh it out

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Names and synonyms

8 names
  • Benzenamine, 2-(methylsulfonyl)-4-nitro-
  • Aniline, 2-(methylsulfonyl)-4-nitro-
  • Methyl 2-amino-5-nitrophenyl sulfone
  • 2-(Methylsulfonyl)-4-nitroaniline
  • 2-Amino-5-nitrophenyl methyl sulfone
  • 1-Amino-2-methylsulphonyl-4-nitrobenzene
  • 2-Methanesulfonyl-4-nitroaniline
  • 2-Mesyl-4-nitroaniline

Work with 2-(Methylsulfonyl)-4-nitrobenzenamine

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-Nitroaniline-2-sulfonic acid96-75-365 % similar Sodium 2-amino-5-nitrobenzenesulfonate30693-53-963 % similar 4-Nitro-1,2-phenylenediamine99-56-958 % similar 2-Amino-5-nitrotoluene99-52-556 % similar 1-(Methylsulfonyl)-4-nitrobenzene2976-30-955 % similar 2,4-Dinitroaniline97-02-955 % similar 2-Amino-5-nitrophenol121-88-054 % similar 2-Methoxy-4-nitroaniline97-52-954 % 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 4-Methyl-3-nitrobenzenesulfonamide6949-23-1

Elsewhere

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