Metabolite N4-acetyl-5'-hydroxysulfapyridine
- Name
- N4-acetyl-5'-hydroxysulfapyridine
- Description
- Not Available
- Structure
Structure for N4-acetyl-5'-hydroxysulfapyridine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 295.31
Monoisotopic: 295.062677085 - Chemical Formula
- C12H13N3O4S
- InChI Key
- RZJFYMQXVYMQJC-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H13N3O4S/c1-15(17)9-2-5-11(6-3-9)20(18,19)14-12-7-4-10(16)8-13-12/h2-8,15-16H,1H3,(H,13,14)
- IUPAC Name
- N-(5-hydroxypyridin-2-yl)-4-(methylnitroso)benzene-1-sulfonamide
- SMILES
- CN(=O)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(O)C=N1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.144 mg/mL ALOGPS logP 1.55 ALOGPS logP -3 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 6.06 Chemaxon pKa (Strongest Basic) 4.62 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 119.83 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 83.5 m3·mol-1 Chemaxon Polarizability 28.92 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon