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

C19H20FN3O5S — CID 155540621

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

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Related Compounds

4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
CID 136901416
N-[6-(3-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540191
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540484
4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 155540488
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]propane-2-sulfonamide
CID 155541077
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide
CID 155542401
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide
CID 155542961
N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155544706
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide
CID 155545338
N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155546232
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 155547921
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155549690

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).