Basic information
- CAS
38560-80-4- Standard SMILES
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1- InChIKey
AJCLTAZSYSCYTH-UHFFFAOYSA-N- Molecular formula
- C17H14ClN3O4S
- Average molar mass
- 391.8 g/mol
- Monoisotopic mass
- 391.0393548
Names & identifiers
- Preferred name
- 2-(4-((p-Chlorophenyl)sulfonyl)-3,5-dimethylphenyl)-as-triazine-3,5(2H,4H)-dione
- IUPAC
- 2-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione
- English name
- 2-(4-((p-Chlorophenyl)sulfonyl)-3,5-dimethylphenyl)-as-triazine-3,5(2H ,4H)-dione
- Molecular formula
- C17H14ClN3O4S
- Molecular weight
- 391.83
Names & synonyms
38560-80-42-(4-((p-Chlorophenyl)sulfonyl)-3,5-dimethylphenyl)-as-triazine-3,5(2H,4H)-dioneas-Triazine-3,5(2H,4H)-dione, 2-(4-((p-chlorophenyl)sulfonyl)-3,5-dimethylphenyl)-CP-25,722Q3TG6V32MUCHEMBL283261DTXSID409594271,2,4-Triazine-3,5(2H,4H)-dione, 2-[4-[(4-chlorophenyl)sulfonyl]-3,5-dimethylphenyl]-2-[4-(4-Chlorobenzene-1-sulfonyl)-3,5-dimethylphenyl]-5-hydroxy-1,2,4-triazin-3(2H)-one2-[4-[(4-Chlorophenyl)sulfonyl]-3,5-dimethylphenyl]-1,2,4-triazine-3,5(2H,4H)-dione2-(4-((p-Chlorophenyl)sulfonyl)-3,5-dimethylphenyl)-as-triazine-3,5(2H ,4H)-dione
Database identifiers
- CAS
38560-80-4- PubChem CID
- 217321
- DTXSID
DTXSID40959427- ChEMBL
CHEMBL283261- UNII
- Q3TG6V32MU
- Nikkaji
- J90.998J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 685
Physicochemical properties
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 6.28 · 6.28±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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