Desaminosulfamethazine
Basic information
- CAS
6149-31-1- Standard SMILES
Cc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1- InChIKey
YREOGEATBXGQCH-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2S
- Average molar mass
- 263.32 g/mol
- Monoisotopic mass
- 263.07284784
Overview
metabolite of sulfamethazine
Names & identifiers
- Preferred name
- Desaminosulfamethazine
- IUPAC
- N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
- English name
- desaminosulfamethazine
- Molecular formula
- C12H13N3O2S
- Molecular weight
- 263.32
Names & synonyms
Desaminosulfamethazine6149-31-1Benzenesulfonamide, N-(4,6-dimethyl-2-pyrimidinyl)-CU1M8V2V81N-(4,6-Dimethyl-2-pyrimidinyl)-benzenesulfonamideRefChem:919917N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamideDESAMINOSULFADIMIDINEUNII-CU1M8V2V81N-(4,6-Dimethyl-pyrimidin-2-yl)-benzenesulfonamideOprea1_169589Oprea1_818160
Show more names
MLS000075794SCHEMBL4515051SCHEMBL6670440CHEMBL1437833YREOGEATBXGQCH-UHFFFAOYSA-NDTXSID001369033HMS2505B15STK095564
Database identifiers
- CAS
6149-31-1- PubChem CID
- 188299
- DTXSID
DTXSID001369033- ChEMBL
CHEMBL1437833- UNII
- CU1M8V2V81
- Nikkaji
- J562.283B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 150 · 150-152 °C
- Boiling point
- 464.4 · 464.4±48.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 7.07 · 7.07±0.10(Predicted)
- FDA UNII
- 1 M8V2V81 · CU1M8V2V81
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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