Tolpyrramide
Basic information
- CAS
5588-38-5- Standard SMILES
Cc1ccc(S(=O)(=O)NC(=O)N2CCCC2)cc1- InChIKey
RFVJKWJDUQOEML-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3S
- Average molar mass
- 268.33 g/mol
- Monoisotopic mass
- 268.08816355
Overview
Tolpyrramide is a sulfonamide.
Names & identifiers
- Preferred name
- Tolpyrramide
- IUPAC
- N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
- English name
- Topyrramide
- Molecular formula
- C12H16N2O3S
- Molecular weight
- 268.33
Names & synonyms
Tolpyrramide5588-38-5TopyrramideN-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamideN-Tosylpyrrolidine-1-carboxamideTolpyrramide [USAN:INN]UNII-W68DD2C7VGW68DD2C7VGNSC-106572N-p-Tolylsulfonyl-1-pyrrolidinecarboxamideMLS002703925NSC 106572
Show more names
1-Pyrrolidinecarboxamide, N-((4-methylphenyl)sulfonyl)-1-Pyrrolidinecarboxamide, N-[(4-methylphenyl)sulfonyl]-SMR001570637TolpirramidaMaybridge4_004001N-(p-Tolylsulfonyl)-1-pyrrolidinecarboxamideTolpyrramide (USAN/INN)TOLPYRRAMIDE [INN]
Database identifiers
- CAS
5588-38-5- PubChem CID
- 267368
- DTXSID
DTXSID30204478- ChEMBL
CHEMBL2105608- ChEBI
CHEBI:177526- UNII
- W68DD2C7VG
- Nikkaji
- J8.017I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 211 · 211-213 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 5.4 · 5.40±0.20(Predicted)
- FDA UNII
- 68 DD2C7VG · W68DD2C7VG
Chemistry & industry
Additional notes
DefinitionChEBI: Tolpyrramide is a sulfonamide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…