methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate

C19H19N3O6S — CID 55900967

IUPACmethyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cccc(OCCn3cccn3)c2)ccc1O
InChIInChI=1S/C19H19N3O6S/c1-27-19(24)17-13-16(6-7-18(17)23)29(25,26)21-14-4-2-5-15(12-14)28-11-10-22-9-3-8-20-22/h2-9,12-13,21,23H,10-11H2,1H3
InChIKeyGUOITQIXJHQPMK-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.26
Rot. Bonds8

About methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate

methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate (PubChem CID 55900967) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate
PubChem CID55900967
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Namemethyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cccc(OCCn3cccn3)c2)ccc1O
InChIInChI=1S/C19H19N3O6S/c1-27-19(24)17-13-16(6-7-18(17)23)29(25,26)21-14-4-2-5-15(12-14)28-11-10-22-9-3-8-20-22/h2-9,12-13,21,23H,10-11H2,1H3
InChIKeyGUOITQIXJHQPMK-UHFFFAOYSA-N
XLogP2.26
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate (CID 55900967) is methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate is COC(=O)c1cc(S(=O)(=O)Nc2cccc(OCCn3cccn3)c2)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate?
The InChIKey is GUOITQIXJHQPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-27-19(24)17-13-16(6-7-18(17)23)29(25,26)21-14-4-2-5-15(12-14)28-11-10-22-9-3-8-20-22/h2-9,12-13,21,23H,10-11H2,1H3.
What are the key properties of methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate?
methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate has a molecular weight of 417.44 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 55900967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).