chempirical

Sulfabenzamide

C13H12N2O3SCAS 127-71-9276.31 g/mol

Open in Covalent MOL file
H2NSOOHNO
Primary amine

Properties

Molecular formula
C13H12N2O3S
Molar mass
276.31 g/mol
Exact mass
276.0569 Da
Melting point
181.5 °C
logP
1.96Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
127-71-9
SMILES
Nc1ccc(S(=O)(=O)N=C(O)c2ccccc2)cc1
InChIKey
PBCZLFBEBARBBI-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzamide, N-[(4-aminophenyl)sulfonyl]-
  • Benzamide, N-sulfanilyl-
  • N-[(4-Aminophenyl)sulfonyl]benzamide
  • N-(p-Aminobenzenesulfonyl)benzamide
  • N1-Benzoylsulfanilamide
  • Sulfabenzide
  • N-Sulfamylbenzamide
  • N-Sulfanilylbenzamide
  • Sulfabenzoylamide
  • Sulfabenzamid
  • Sulfabenzid
  • NSC 74587G
  • NSC 74587
  • N-(Benzoyl)-4-aminobenzenesulfonamide

Work with Sulfabenzamide

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

Sulfacetamide144-80-959 % similar Asulam3337-71-155 % similar N-(3-Aminophenyl)benzamide16091-26-245 % similar Saccharin81-07-245 % similar 4,4′-Diaminobenzanilide785-30-845 % similar Benzoylhydrazine613-94-543 % similar Dibenzoylhydrazine787-84-843 % similar 4-Aminobenzophenone1137-41-342 % similar

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

Elsewhere

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