1-(4-tert-butylphenyl)sulfonylpyrazole

C13H16N2O2S — CID 843460

IUPAC1-(4-tert-butylphenyl)sulfonylpyrazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)n2cccn2)cc1
InChIInChI=1S/C13H16N2O2S/c1-13(2,3)11-5-7-12(8-6-11)18(16,17)15-10-4-9-14-15/h4-10H,1-3H3
InChIKeyJBOYXUFZTXQRND-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.42
Rot. Bonds2

About 1-(4-tert-butylphenyl)sulfonylpyrazole

1-(4-tert-butylphenyl)sulfonylpyrazole (PubChem CID 843460) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonylpyrazole
PubChem CID843460
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-(4-tert-butylphenyl)sulfonylpyrazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)n2cccn2)cc1
InChIInChI=1S/C13H16N2O2S/c1-13(2,3)11-5-7-12(8-6-11)18(16,17)15-10-4-9-14-15/h4-10H,1-3H3
InChIKeyJBOYXUFZTXQRND-UHFFFAOYSA-N
XLogP2.42
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonylpyrazole?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonylpyrazole (CID 843460) is 1-(4-tert-butylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonylpyrazole is CC(C)(C)c1ccc(S(=O)(=O)n2cccn2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonylpyrazole?
The InChIKey is JBOYXUFZTXQRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-13(2,3)11-5-7-12(8-6-11)18(16,17)15-10-4-9-14-15/h4-10H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonylpyrazole?
1-(4-tert-butylphenyl)sulfonylpyrazole has a molecular weight of 264.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonylpyrazole is sourced from PubChem (CID 843460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).