chempirical

Probenecid

C13H19NO4SCAS 57-66-9285.36 g/mol

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Carboxylic acidSulfonamide

Properties

Molecular formula
C13H19NO4S
Molar mass
285.36 g/mol
Exact mass
285.1035 Da
Melting point
194–196 °C
logP
2.20Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
7

Identifiers

CAS number
57-66-9
SMILES
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIKey
DBABZHXKTCFAPX-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)

Weigh it out

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

Names and synonyms

20 names · show all
  • Benzoic acid, 4-[(dipropylamino)sulfonyl]-
  • Benzoic acid, p-(dipropylsulfamoyl)-
  • 4-[(Dipropylamino)sulfonyl]benzoic acid
  • Benemid
  • p-(Dipropylsulfamoyl)benzoic acid
  • p-(Dipropylsulfamyl)benzoic acid
  • Probecid
  • Probenecid acid
  • 4-(Dipropylsulfamoyl)benzoic acid
  • Proben
  • Benecid
  • Apurina
  • Synergid R
  • Tubophan
  • Benuryl
  • Uricosid
  • Prolongine
  • 4-(N,N-Dipropylaminosulfonyl)benzoic acid
  • NSC 18786
  • 4-(N,N-Dipropylsulfamoyl)benzoic acid

Work with Probenecid

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

Halazone80-13-757 % similar 4-Propylbenzoic acid2438-05-351 % similar 4-(Methylsulfonyl)benzoic acid4052-30-650 % similar 4-Butylbenzoic acid20651-71-249 % similar 4-Pentylbenzoic acid26311-45-548 % similar 4-Hexylbenzoic acid21643-38-947 % similar 4-Octylbenzoic acid3575-31-347 % similar 4-Heptylbenzoic acid38350-87-747 % similar

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

Same formula

Ethyl N-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]ethanimidate38202-27-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook