chempirical

4,4′-Diaminobenzenesulfonanilide

C12H13N3O2SCAS 16803-97-7263.31 g/mol

Open in Covalent MOL file
NH2NHSOOH2N
Primary amineSulfonamide

Properties

Molecular formula
C12H13N3O2S
Molar mass
263.31 g/mol
Exact mass
263.0728 Da
Melting point
138 °C
logP
1.65Crippen estimate
Polar surface area
98.2 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Identifiers

CAS number
16803-97-7
SMILES
Nc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
InChIKey
LWOAIKNLRVQTFT-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2

Weigh it out

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

Names and synonyms

9 names
  • Benzenesulfonamide, 4-amino-N-(4-aminophenyl)-
  • Sulfanilanilide, 4′-amino-
  • 4-Amino-N-(4-aminophenyl)benzenesulfonamide
  • p-Aminobenzenesulfanilamide
  • 4,4′-Diaminodiphenyl sulfonamide
  • N1-p-Aminophenylsulfanilamide
  • N-(4-Aminophenyl)-4-aminobenzenesulfonamide
  • 4,4′-Diaminosulfanilide
  • DASA

Work with 4,4′-Diaminobenzenesulfonanilide

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-Amino-N-ethylbenzenesulfonamide1709-53-158 % similar Sulfadiazine68-35-958 % similar N-Phenylbenzenesulfonamide1678-25-757 % similar 3-Amino-N-phenylbenzenesulfonamide80-21-756 % similar Sulfapyridine144-83-254 % similar 4-Amino-N-5-isoxazolylbenzenesulfonamide7758-79-454 % similar Sulfaguanidine57-67-053 % similar Sulfamethazine57-68-153 % similar

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

Same formula

Bm 96010272811-73-5

Elsewhere

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