methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate

C15H17N3O5S — CID 72719678

IUPACmethyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cnn(C3CCOC3)c2)cc1
InChIInChI=1S/C15H17N3O5S/c1-22-15(19)11-2-4-14(5-3-11)24(20,21)17-12-8-16-18(9-12)13-6-7-23-10-13/h2-5,8-9,13,17H,6-7,10H2,1H3
InChIKeyZLPVTHXQSPZORE-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.43
Rot. Bonds5

About methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate

methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate (PubChem CID 72719678) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate
PubChem CID72719678
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Namemethyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cnn(C3CCOC3)c2)cc1
InChIInChI=1S/C15H17N3O5S/c1-22-15(19)11-2-4-14(5-3-11)24(20,21)17-12-8-16-18(9-12)13-6-7-23-10-13/h2-5,8-9,13,17H,6-7,10H2,1H3
InChIKeyZLPVTHXQSPZORE-UHFFFAOYSA-N
XLogP1.43
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate (CID 72719678) is methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cnn(C3CCOC3)c2)cc1.
What is the InChIKey of methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate?
The InChIKey is ZLPVTHXQSPZORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-22-15(19)11-2-4-14(5-3-11)24(20,21)17-12-8-16-18(9-12)13-6-7-23-10-13/h2-5,8-9,13,17H,6-7,10H2,1H3.
What are the key properties of methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate?
methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate has a molecular weight of 351.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfamoyl]benzoate is sourced from PubChem (CID 72719678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).