4-Methyl-3-nitrobenzenesulfonamide

C₇H₈N₂O₄SCAS 6949-23-1216.21 g/mol

Open in Covalent MOL file

Nitro Sulfonamide

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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

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

5 names

Benzenesulfonamide, 4-methyl-3-nitro-
p-Toluenesulfonamide, 3-nitro-
m-Nitro-p-toluenesulfonamide
NSC 25155
NSC 64475

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-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 4-Iodo-2-nitrotoluene41252-97-554 % similar

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

Same formula

2-Amino-5-(aminosulfonyl)benzoic acid137-65-5 2-(Methylsulfonyl)-4-nitrobenzenamine96-74-2

Elsewhere

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