1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole

C15H20N2O3S — CID 15943920

IUPAC1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1cccn1
InChIInChI=1S/C15H20N2O3S/c1-5-20-13-8-7-12(15(2,3)4)11-14(13)21(18,19)17-10-6-9-16-17/h6-11H,5H2,1-4H3
InChIKeyJYHPDJGBRGHYNR-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.82
Rot. Bonds4

About 1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole

1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole (PubChem CID 15943920) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole
PubChem CID15943920
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1cccn1
InChIInChI=1S/C15H20N2O3S/c1-5-20-13-8-7-12(15(2,3)4)11-14(13)21(18,19)17-10-6-9-16-17/h6-11H,5H2,1-4H3
InChIKeyJYHPDJGBRGHYNR-UHFFFAOYSA-N
XLogP2.82
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole?
The IUPAC name of 1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole (CID 15943920) is 1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole is CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1cccn1.
What is the InChIKey of 1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole?
The InChIKey is JYHPDJGBRGHYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-20-13-8-7-12(15(2,3)4)11-14(13)21(18,19)17-10-6-9-16-17/h6-11H,5H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole?
1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole has a molecular weight of 308.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-ethoxyphenyl)sulfonylpyrazole is sourced from PubChem (CID 15943920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).