Sulazuril
Basic information
- CAS
108258-89-5- Standard SMILES
CN1CC(=O)NC(=O)N1c1cc(Cl)c(Oc2ccc(S(C)(=O)=O)cc2)c(Cl)c1- InChIKey
AQAZEGOUFUGKBP-UHFFFAOYSA-N- Molecular formula
- C17H15Cl2N3O5S
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 443.0109471
Overview
Sulazuril is a small molecule drug. Sulazuril has a monoisotopic molecular weight of 443.01 Da.
Names & identifiers
- Preferred name
- Sulazuril
- IUPAC
- 2-[3,5-dichloro-4-(4-methylsulfonylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-dione
- English name
- Sulazuril
- Molecular formula
- C17H15Cl2N3O5S
- Molecular weight
- 444.29
Names & synonyms
SulazurilSulazuril [INN]sulazuriloUNII-2136B7T7KE2136B7T7KEHoe 092 VDTXSID30148469sulazurilumRefChem:186457DTXCID8070960108258-89-5Hoe-092V
Show more names
2-(3,5-Dichloro-4-(p-(methylsulfonyl)phenoxy)phenyl)dihydro-1-methyl-as-triazine-3,5(2H,4H)-dione1,2,4-Triazine-3,5(2H,4H)-dione, 2-[3,5-dichloro-4-[4-(methylsulfonyl)phenoxy]phenyl]dihydro-1-methyl-
2-[3,5-dichloro-4-(4-methylsulfonylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-dioneHoe-092 VSCHEMBL8602617CHEMBL2105474AQAZEGOUFUGKBP-UHFFFAOYSA-NNS00120178Q272535092-(3,5-alpha-dichloro-4-(4-methylsulfonylphenoxy)phenyl)-1-methylhexahydro-1,2,4-triazine-3,5-dione
Database identifiers
- CAS
108258-89-5- PubChem CID
- 65904
- DTXSID
DTXSID30148469- ChEMBL
CHEMBL2105474- UNII
- 2136B7T7KE
- Nikkaji
- J561.873H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 696
Physicochemical properties
- Density
- 1.49 · 1.490±0.06 g/cm3(Predicted)
- pka
- 10.4 · 10.40±0.20(Predicted)
- FDA UNII
- 2136 B7T7KE · 2136B7T7KE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…