Metabolite N4-acetylsulfapyridine
- Name
- N4-acetylsulfapyridine
- Description
- Not Available
- Structure
Structure for N4-acetylsulfapyridine
- Synonyms
- Not Available
- UNII
- 3CM4B5MZJP
- CAS number
- Not Available
- Weight
- Average: 279.31
Monoisotopic: 279.067762465 - Chemical Formula
- C12H13N3O3S
- InChI Key
- CGGGOQHMXNAGAU-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H13N3O3S/c1-15(16)10-5-7-11(8-6-10)19(17,18)14-12-4-2-3-9-13-12/h2-9,15H,1H3,(H,13,14)
- IUPAC Name
- 4-(methylnitroso)-N-(pyridin-2-yl)benzene-1-sulfonamide
- SMILES
- CN(=O)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.088 mg/mL ALOGPS logP 1.93 ALOGPS logP -2.7 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 6.91 Chemaxon pKa (Strongest Basic) 4.62 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 99.6 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 81.52 m3·mol-1 Chemaxon Polarizability 28 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