2-(Methylsulfonyl)-4-nitrobenzenamine

C₇H₈N₂O₄SCAS 96-74-2216.21 g/mol

Open in Covalent MOL file

Nitro Primary amine Sulfone

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 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

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

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

Names and synonyms

7 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

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 2-Amino-5-nitrotoluene99-52-556 % similar 2-Amino-5-nitrophenol121-88-054 % similar 2-Methoxy-4-nitroaniline97-52-954 % similar 2-Chloro-4-nitroaniline121-87-953 % similar 2-Bromo-4-nitrobenzenamine13296-94-153 % similar 2-Fluoro-4-nitrobenzenamine369-35-753 % similar

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

Same formula

2-Amino-5-(aminosulfonyl)benzoic acid137-65-5 4-Methyl-3-nitrobenzenesulfonamide6949-23-1

Elsewhere

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