N(4)-Acetylsulfamonomethoxine
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Basic information
- CAS
4049-01-8- Standard SMILES
COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)ncn1- InChIKey
GYUQXNLLHFAYDF-UHFFFAOYSA-N- Molecular formula
- C13H14N4O4S
- Average molar mass
- 322.34 g/mol
- Monoisotopic mass
- 322.07357611
Overview
main urinary metabolite of sulfamonomethoxine in pigs
Names & identifiers
- Preferred name
- N(4)-Acetylsulfamonomethoxine
- IUPAC
- N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
- English name
- N(4)-acetylsulfamonomethoxine
- Molecular formula
- C13H14N4O4S
- Molecular weight
- 322.34
Names & synonyms
4049-01-8AcSMMN(4)-AcetylsulfamonomethoxineAcetamide, N-(4-(((6-methoxy-4-pyrimidinyl)amino)sulfonyl)phenyl)-Acetamide, N-[4-[[(6-methoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]-RefChem:160687N-(4-(n-(6-methoxypyrimidin-4-yl)sulfamoyl)phenyl)acetamideN-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamideAcetylsulfamonomethoxine (d4 Major)N-(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)acetamideN-[4-[[(6-Methoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]acetamideCambridge id 7005523
Show more names
4'-[(6-Methoxy-4-pyriMidinyl)sulfaMoyl]-acetanilide-d44-(p-Acetoaminobenzenesulfonylamino)-6-methoxypyrimidine4-(p-AcetoaMinobenzenesulfonylaMino)-6-MethoxypyriMidine-d4N-[4-[[(6-Methoxy-4-pyriMidinyl)aMino]sulfonyl]phenyl]-acetaMide-d4
DZ94Z99MTLOprea1_374041MLS000531265CHEMBL1445331SCHEMBL28991425DTXSID10960868N-{4-[(6-Methoxy-4-pyrimidinyl)sulfamoyl]phenyl}acetamideGYUQXNLLHFAYDF-UHFFFAOYSA-N
Database identifiers
- CAS
4049-01-8- PubChem CID
- 160729
- DTXSID
DTXSID10960868- ChEMBL
CHEMBL1445331- UNII
- DZ94Z99MTL
- Nikkaji
- J38.351A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Melting point
- 227 · 227-228.5℃ (methanol )
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- pka
- 6.46 · 6.46±0.30(Predicted)
- FDA UNII
- 94 Z99MTL · DZ94Z99MTL
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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