Skip to content

Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate

C19H20FN3O5S — CID 155540621

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCC(=O)OC)c2cn[nH]c2c1
InChIInChI=1S/C19H20FN3O5S/c1-3-11-8-18(24)15(20)9-13(11)12-6-16-14(10-21-22-16)17(7-12)23-29(26,27)5-4-19(25)28-2/h6-10,23-24H,3-5H2,1-2H3,(H,21,22)
InChIKeyAYLMOPXFFHJMMR-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.94
Rot. Bonds7

About Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate

Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate (PubChem CID 155540621) has the molecular formula C19H20FN3O5S and a molecular weight of 421.45 g/mol. Its IUPAC name is methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate.

Molecular Properties

Compound NameMethyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate
PubChem CID155540621
Molecular FormulaC19H20FN3O5S
Molecular Weight421.45 g/mol
Exact Mass421.11
IUPAC Namemethyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCC(=O)OC)c2cn[nH]c2c1
InChIInChI=1S/C19H20FN3O5S/c1-3-11-8-18(24)15(20)9-13(11)12-6-16-14(10-21-22-16)17(7-12)23-29(26,27)5-4-19(25)28-2/h6-10,23-24H,3-5H2,1-2H3,(H,21,22)
InChIKeyAYLMOPXFFHJMMR-UHFFFAOYSA-N
XLogP2.94
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate?
The IUPAC name of Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate (CID 155540621) is methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate.
What is the SMILES notation for Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate?
The canonical SMILES for Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate is CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCC(=O)OC)c2cn[nH]c2c1.
What is the InChIKey of Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate?
The InChIKey is AYLMOPXFFHJMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5S/c1-3-11-8-18(24)15(20)9-13(11)12-6-16-14(10-21-22-16)17(7-12)23-29(26,27)5-4-19(25)28-2/h6-10,23-24H,3-5H2,1-2H3,(H,21,22).
What are the key properties of Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate?
Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate has a molecular weight of 421.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate is sourced from PubChem (CID 155540621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.