1-(3,4-dimethoxyphenyl)sulfonylpyrazole

C11H12N2O4S — CID 778403

IUPAC1-(3,4-dimethoxyphenyl)sulfonylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2cccn2)cc1OC
InChIInChI=1S/C11H12N2O4S/c1-16-10-5-4-9(8-11(10)17-2)18(14,15)13-7-3-6-12-13/h3-8H,1-2H3
InChIKeyNQULWPBVKOZCMC-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.14
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonylpyrazole

1-(3,4-dimethoxyphenyl)sulfonylpyrazole (PubChem CID 778403) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonylpyrazole
PubChem CID778403
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2cccn2)cc1OC
InChIInChI=1S/C11H12N2O4S/c1-16-10-5-4-9(8-11(10)17-2)18(14,15)13-7-3-6-12-13/h3-8H,1-2H3
InChIKeyNQULWPBVKOZCMC-UHFFFAOYSA-N
XLogP1.14
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpyrazole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpyrazole (CID 778403) is 1-(3,4-dimethoxyphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonylpyrazole is COc1ccc(S(=O)(=O)n2cccn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonylpyrazole?
The InChIKey is NQULWPBVKOZCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-16-10-5-4-9(8-11(10)17-2)18(14,15)13-7-3-6-12-13/h3-8H,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonylpyrazole?
1-(3,4-dimethoxyphenyl)sulfonylpyrazole has a molecular weight of 268.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonylpyrazole is sourced from PubChem (CID 778403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).