Metabolite Nitroso-dapsone
- Name
- Nitroso-dapsone
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 262.284
Monoisotopic: 262.041212886 - Chemical Formula
- C12H10N2O3S
- InChI Key
- UAQFAHXMXOCEAD-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H10N2O3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-8H,13H2
- IUPAC Name
- 4-(4-nitrosobenzenesulfonyl)aniline
- SMILES
- NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)N=O
- Reactions
- Dapsone dapsone hydroxylamine
- dapsone hydroxylamine Nitroso-dapsone
- Nitroso-dapsone Dapsone mercaptal intermediate
- Dapsone mercaptal intermediate Dapsone GSH conjugate
- Nitroso-dapsone Dapsone mercaptal intermediate
- dapsone hydroxylamine Nitroso-dapsone
- Dapsone dapsone hydroxylamine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 158.68416 predictedDeepCCS 1.0 (2019) [M+H]+ 161.04216 predictedDeepCCS 1.0 (2019) [M+Na]+ 167.1353 predictedDeepCCS 1.0 (2019) - External Links
- Predicted Properties
Property Value Source Water Solubility 0.109 mg/mL ALOGPS logP 1.41 ALOGPS logP 2.18 Chemaxon logS -3.4 ALOGPS pKa (Strongest Basic) 1.95 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 89.59 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 69.86 m3·mol-1 Chemaxon Polarizability 25.28 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon