Methyl 4-[(dipropylamino)sulfonyl]benzoate
Basic information
- CAS
53212-75-2- Standard SMILES
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OC)cc1- InChIKey
YLVGRYMYFMKKCB-UHFFFAOYSA-N- Molecular formula
- C14H21NO4S
- Average molar mass
- 299.39 g/mol
- Monoisotopic mass
- 299.11912932
Names & identifiers
- Preferred name
- Methyl 4-[(dipropylamino)sulfonyl]benzoate
- IUPAC
- methyl 4-(dipropylsulfamoyl)benzoate
- English name
- MFCD01046371
- Molecular formula
- C14H21NO4S
- Molecular weight
- 299.39
Names & synonyms
53212-75-2methyl 4-[(dipropylamino)sulfonyl]benzoatemethyl 4-(dipropylsulfamoyl)benzoateMethyl 4-(N,N-dipropylsulfamoyl)benzoateMFCD01046371Benzoic acid, 4-[(dipropylamino)sulfonyl]-, methyl esterProbenecid Methyl EsterProbenecid Me, #1Oprea1_108385Oprea1_176670SCHEMBL6887267SCHEMBL11877545
Show more names
ProbenecidImpurity54-Dipropylsulfamoyl-benzoic acid methyl ester4-(dipropylsulfamoyl)benzoic acid methyl esterProbenecid Impurity 5（Probenecid Methyl Ester）
DTXSID00355421YLVGRYMYFMKKCB-UHFFFAOYSA-NALBB-023949SBB071803STK149334AKOS003235271Methyl4-(N,N-dipropylsulfamoyl)benzoateLS-07651
Database identifiers
- CAS
53212-75-2- PubChem CID
- 800079
- DTXSID
DTXSID00355421
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 412.5 · 412.5±47.0 °C(Predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- pka
- -5.39 · -5.39±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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