Basic information
- CAS
13010-46-3- Standard SMILES
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)nn1- InChIKey
WWQJMQMALOQQBJ-UHFFFAOYSA-N- Molecular formula
- C19H16N4O6S
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.07905542
Overview
intestinal anti-infective agent; structure
Names & identifiers
- Preferred name
- Phthalylsulfapyridazine
- IUPAC
- 2-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid
- English name
- N-[4-(6-Methoxy-pyridazin-3-ylsulfamoyl)-phenyl]-phthalamic acid
- Molecular formula
- C19H16N4O6S
- Molecular weight
- 428.42
Names & synonyms
Phthalylsulfapyridazine13010-46-36C4VK2DCF72-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]benzoic acidDTXSID401563382-({4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl}carbamoyl)benzoic acidBenzoic acid, 2-(((4-(((6-methoxy-3-pyridazinyl)amino)sulfonyl)phenyl)amino)carbonyl)-2-((4-((6-METHOXYPYRIDAZIN-3-YL)SULFAMOYL)PHENYL)CARBAMOYL)BENZOIC ACIDRefChem:174003DTXCID00788292-((4-(N-(6-methoxypyridazin-3-yl)sulfamoyl)phenyl)carbamoyl)benzoic acidN-[4-(6-Methoxy-pyridazin-3-ylsulfamoyl)-phenyl]-phthalamic acid
Show more names
2-{[(4-{[(6-methoxy-3-pyridazinyl)amino]sulfonyl}phenyl)amino]carbonyl}benzoic acidBenzoic acid, 2-[[[4-[[(6-methoxy-3-pyridazinyl)amino]sulfonyl]phenyl]amino]carbonyl]-
PhthazinBenzoic acid,2-[[[4-[[(6-methoxy-3-pyridazinyl)amino]sulfonyl]phenyl]amino]carbonyl]-phthazineN-(4-(6-METHOXY-PYRIDAZIN-3-YLSULFAMOYL)-PHENYL)-PHTHALAMIC ACIDC19H16N4O6SUNII-6C4VK2DCF7Oprea1_410528Oprea1_500919
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 704
Physicochemical properties
- Density
- 1.527 · 1.527±0.06 g/cm3(Predicted)
- pka
- 1.36 · 1.36±0.10(Predicted)
- FDA UNII
- 6 C4VK2DCF7 · 6C4VK2DCF7
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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