N-Methyl-4-nitrobenzenemethanesulfonamide

C8H10N2O4SCAS 85952-29-0230.24 g/mol

Open in Covalent MOL file
NHSOON+OO−
NitroSulfonamide

Properties

Molecular formula
C8H10N2O4S
Molar mass
230.24 g/mol
Exact mass
230.0361 Da
logP
0.64Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
85952-29-0
SMILES
CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIKey
KZWPBAASZYQWIV-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O4S/c1-9-15(13,14)6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3

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

Names and synonyms

5 names
  • Benzenemethanesulfonamide, N-methyl-4-nitro-
  • 4-(((Methylamino)sulfonyl)methyl)nitrobenzene
  • 1-(4-Nitrophenyl)-N-methylmethanesulfonamide
  • (4-Nitro-phenyl)-methanesulfonic acid methylamide
  • N-Methyl-1-(4-nitrophenyl)methanesulfonamide

Work with N-Methyl-4-nitrobenzenemethanesulfonamide

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-Nitrobenzenemethanesulfonyl chloride4025-75-656 % similar 4-Amino-N-methylbenzenemethanesulfonamide109903-35-755 % similar 1,2-Bis(4-nitrophenyl)ethane736-30-153 % similar 1-Ethyl-4-nitrobenzene100-12-951 % similar N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-151 % similar Benzenemethanesulfonamide, 4-amino-N-methyl-, hydrochloride (1:1)88918-84-751 % similar 1-[[(4-Nitrophenyl)methyl]sulfonyl]pyrrolidine340041-91-051 % similar 4-Hydrazino-N-methylbenzenemethanesulfonamide hydrochloride88933-16-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(6R-Trans)-7-Amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid15690-38-7 Asulam3337-71-1 4-Acetamido-2-aminobenzenesulfonic acid88-64-2 5-Acetamido-2-aminobenzenesulfonic acid96-78-6

Elsewhere

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