Metabolite Indapamide metabolite M4
- Name
- Indapamide metabolite M4
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 379.818
Monoisotopic: 379.039354348 - Chemical Formula
- C16H14ClN3O4S
- InChI Key
- WTWDWHYDLVHLPL-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H14ClN3O4S/c1-9-15(21)11-4-2-3-5-13(11)20(9)19-16(22)10-6-7-12(17)14(8-10)25(18,23)24/h2-9H,1H3,(H,19,22)(H2,18,23,24)
- IUPAC Name
- 4-chloro-N-(2-methyl-3-oxo-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide
- SMILES
- CC1N(NC(=O)C2=CC(=C(Cl)C=C2)S(N)(=O)=O)C2=CC=CC=C2C1=O
- Reactions
- Indapamide Indapamide metabolite M5
- Indapamide metabolite M5 Indapamide metabolite M4
- Indapamide metabolite M4 Indapamide metabolite M2
- Indapamide metabolite M5 Indapamide metabolite M4
- Indapamide Indapamide metabolite M5
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 178.98592 predictedDeepCCS 1.0 (2019) [M+H]+ 181.3439 predictedDeepCCS 1.0 (2019) [M+Na]+ 189.00487 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0499 mg/mL ALOGPS logP 1.85 ALOGPS logP 2.01 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 8.28 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 109.57 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 103.92 m3·mol-1 Chemaxon Polarizability 36.37 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon