chempirical

N,N,2-Trimethyl-5-nitrobenzenesulfonamide

C9H12N2O4SCAS 433695-36-4244.26 g/mol

Open in Covalent MOL file
N+OO−SOON
NitroSulfoneTertiary Amine

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

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

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

Elsewhere

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