chempirical

4-Amino-N,N-dimethylbenzenesulfonamide

C8H12N2O2SCAS 1709-59-7200.26 g/mol

Open in Covalent MOL file
NSOONH2
Primary amineSulfonamide

Properties

Molecular formula
C8H12N2O2S
Molar mass
200.26 g/mol
Exact mass
200.0619 Da
Melting point
168 °C
logP
0.52Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
1709-59-7
SMILES
CN(C)S(=O)(=O)c1ccc(N)cc1
InChIKey
BABGMPQXLCJMSK-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3

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Names and synonyms

12 names
  • Benzenesulfonamide, 4-amino-N,N-dimethyl-
  • Sulfanilamide, N1,N1-dimethyl-
  • p-Amino-N,N-dimethylbenzenesulfonamide
  • N1,N1-Dimethylsulfanilamide
  • p-(Dimethylsulfamoyl)aniline
  • N,N-Dimethylsulfanilamide
  • 4-(Dimethylaminosulfonyl)aniline
  • 4-(N,N-Dimethylsulfamoyl)aniline
  • [(4-Aminophenyl)sulfonyl]dimethylamine
  • NSC 110777
  • N,N-Dimethyl-4-aminobenzenesulfonamide
  • 4-Amino-N,N-dimethylbenzene-1-sulfonamide

Work with 4-Amino-N,N-dimethylbenzenesulfonamide

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-Bromo-N,N-dimethylbenzenesulfonamide707-60-860 % similar 4-Amino-3-hydroxy-N,N-dimethylbenzenesulfonamide41608-75-753 % similar 4-(Morpholinosulfonyl)aniline21626-70-051 % similar 4-(Methylsulfonyl)aniline5470-49-550 % similar Sulfanilamide63-74-147 % similar Sulfanilic acid121-57-345 % similar 4,4′-Diaminobenzenesulfonanilide16803-97-742 % similar Sodium P-aminobenzenesulfonate515-74-242 % similar

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

Same formula

4-Amino-N-methylbenzenemethanesulfonamide109903-35-7 1,1-Dimethylethyl N-4-thiazolylcarbamate1235406-42-4 4-Amino-N-ethylbenzenesulfonamide1709-53-1 4-(2-Aminoethyl)benzenesulfonamide35303-76-5 1,3-Diethyl-2-thiobarbituric acid5217-47-0

Elsewhere

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