N,N,2-Trimethyl-5-nitrobenzenesulfonamide

C9H12N2O4SCAS 433695-36-4244.26 g/mol

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N+OO−SOON
NitroSulfonamide

Properties

Molecular formula
C9H12N2O4S
Molar mass
244.26 g/mol
Exact mass
244.0518 Da
logP
1.15Crippen estimate
Polar surface area
80.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

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
433695-36-4
SMILES
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C
InChIKey
IFIUFCJFLGCQPH-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3

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Names and synonyms

2 names
  • Benzenesulfonamide, N,N,2-trimethyl-5-nitro-
  • BRL 50481

Work with N,N,2-Trimethyl-5-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

2-Methyl-5-nitrobenzenesulfonyl chloride121-02-862 % similar 2-Methyl-5-nitrobenzenesulfonic acid121-03-962 % similar 2-Methyl-5-nitrobenzene-1-sulfonamide6269-91-662 % similar 4-Nitro-o-xylene99-51-455 % similar 2,4-Dinitrotoluene121-14-253 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-851 % similar 2-Chloro-4-nitrotoluene121-86-850 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pidotimod121808-62-6 (6R,7R)-7-Amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid24701-69-7 2-N-Boc-amino-thiazole-5-carboxylic acid302964-02-9

Elsewhere

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