1-(4-ethoxyphenyl)sulfonylpyrazole

C11H12N2O3S — CID 6463761

IUPAC1-(4-ethoxyphenyl)sulfonylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2cccn2)cc1
InChIInChI=1S/C11H12N2O3S/c1-2-16-10-4-6-11(7-5-10)17(14,15)13-9-3-8-12-13/h3-9H,2H2,1H3
InChIKeyUAXAUFXXHFMWOD-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.52
Rot. Bonds4

About 1-(4-ethoxyphenyl)sulfonylpyrazole

1-(4-ethoxyphenyl)sulfonylpyrazole (PubChem CID 6463761) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonylpyrazole
PubChem CID6463761
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name1-(4-ethoxyphenyl)sulfonylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2cccn2)cc1
InChIInChI=1S/C11H12N2O3S/c1-2-16-10-4-6-11(7-5-10)17(14,15)13-9-3-8-12-13/h3-9H,2H2,1H3
InChIKeyUAXAUFXXHFMWOD-UHFFFAOYSA-N
XLogP1.52
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonylpyrazole?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonylpyrazole (CID 6463761) is 1-(4-ethoxyphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonylpyrazole is CCOc1ccc(S(=O)(=O)n2cccn2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonylpyrazole?
The InChIKey is UAXAUFXXHFMWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-2-16-10-4-6-11(7-5-10)17(14,15)13-9-3-8-12-13/h3-9H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonylpyrazole?
1-(4-ethoxyphenyl)sulfonylpyrazole has a molecular weight of 252.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonylpyrazole is sourced from PubChem (CID 6463761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).