methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate

C18H18N4O4S — CID 71807977

IUPACmethyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCn2ccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C18H18N4O4S/c1-26-18(23)14-5-7-15(8-6-14)27(24,25)20-11-13-22-12-9-17(21-22)16-4-2-3-10-19-16/h2-10,12,20H,11,13H2,1H3
InChIKeyCKSQKHJDISCFQE-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.71
Rot. Bonds7

About methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate

methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate (PubChem CID 71807977) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate
PubChem CID71807977
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Namemethyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCn2ccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C18H18N4O4S/c1-26-18(23)14-5-7-15(8-6-14)27(24,25)20-11-13-22-12-9-17(21-22)16-4-2-3-10-19-16/h2-10,12,20H,11,13H2,1H3
InChIKeyCKSQKHJDISCFQE-UHFFFAOYSA-N
XLogP1.71
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate (CID 71807977) is methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCCn2ccc(-c3ccccn3)n2)cc1.
What is the InChIKey of methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate?
The InChIKey is CKSQKHJDISCFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-26-18(23)14-5-7-15(8-6-14)27(24,25)20-11-13-22-12-9-17(21-22)16-4-2-3-10-19-16/h2-10,12,20H,11,13H2,1H3.
What are the key properties of methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate?
methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate has a molecular weight of 386.43 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 71807977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).