Metabolite Indapamide metabolite M5
- Name
- Indapamide metabolite M5
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- AZ0ETT16DT
- CAS number
- Not Available
- Weight
- Average: 363.819
Monoisotopic: 363.044439726 - Chemical Formula
- C16H14ClN3O3S
- InChI Key
- LWCDXWWLUHMMJI-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H14ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-9H,1H3,(H,19,21)(H2,18,22,23)
- IUPAC Name
- 4-chloro-N-(2-methyl-1H-indol-1-yl)-3-sulfamoylbenzamide
- SMILES
- CC1=CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=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]- 174.16743 predictedDeepCCS 1.0 (2019) [M+H]+ 176.52544 predictedDeepCCS 1.0 (2019) [M+Na]+ 182.89244 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 41622
- ChEBI
- 143386
- ZINC
- ZINC000001999071
- Predicted Properties
Property Value Source Water Solubility 0.0363 mg/mL ALOGPS logP 2.65 ALOGPS logP 2.08 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 8.84 Chemaxon pKa (Strongest Basic) -8.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 94.19 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 94.2 m3·mol-1 Chemaxon Polarizability 35.81 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