6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
Basic information
- CAS
324068-51-1- Standard SMILES
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1- InChIKey
JPGKCYRTZZYQFY-UHFFFAOYSA-N- Molecular formula
- C11H12N4O6S2
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.01982646
Names & identifiers
- Preferred name
- 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
- IUPAC
- 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
Names & synonyms
324068-51-16-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide2-hydroxy-4-methyl-6-oxo-N-(4-sulfamoylphenyl)-1,6-dihydropyrimidine-5-sulfonamide6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamideCambridge id 5529510Oprea1_750906Oprea1_855294MLS001207880CHEMBL1867897DTXSID201321348HMS2840G03STK821703
Show more names
STL420794AKOS000433962AKOS000524075SMR000513914ST096500Z2234513584-{[(6-methyl-2,4-dioxo-1,3-dihydropyrimidin-5-yl)sulfonyl]amino}benzenesulfon amide6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-sulfonic acid (4-sulfamoyl-phenyl)-amide
Database identifiers
- CAS
324068-51-1- PubChem CID
- 2247648
- DTXSID
DTXSID201321348- ChEMBL
CHEMBL1867897
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 751
Experimental & physicochemical properties
Solubility48.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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