8-pyrazol-1-ylsulfonylquinoline

C12H9N3O2S — CID 4619559

IUPAC8-pyrazol-1-ylsulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)n1cccn1
InChIInChI=1S/C12H9N3O2S/c16-18(17,15-9-3-8-14-15)11-6-1-4-10-5-2-7-13-12(10)11/h1-9H
InChIKeyCEPYJPXKYUCFSL-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.67
Rot. Bonds2

About 8-pyrazol-1-ylsulfonylquinoline

8-pyrazol-1-ylsulfonylquinoline (PubChem CID 4619559) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 8-pyrazol-1-ylsulfonylquinoline.

Molecular Properties

Compound Name8-pyrazol-1-ylsulfonylquinoline
PubChem CID4619559
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name8-pyrazol-1-ylsulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)n1cccn1
InChIInChI=1S/C12H9N3O2S/c16-18(17,15-9-3-8-14-15)11-6-1-4-10-5-2-7-13-12(10)11/h1-9H
InChIKeyCEPYJPXKYUCFSL-UHFFFAOYSA-N
XLogP1.67
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-pyrazol-1-ylsulfonylquinoline?
The IUPAC name of 8-pyrazol-1-ylsulfonylquinoline (CID 4619559) is 8-pyrazol-1-ylsulfonylquinoline.
What is the SMILES notation for 8-pyrazol-1-ylsulfonylquinoline?
The canonical SMILES for 8-pyrazol-1-ylsulfonylquinoline is O=S(=O)(c1cccc2cccnc12)n1cccn1.
What is the InChIKey of 8-pyrazol-1-ylsulfonylquinoline?
The InChIKey is CEPYJPXKYUCFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c16-18(17,15-9-3-8-14-15)11-6-1-4-10-5-2-7-13-12(10)11/h1-9H.
What are the key properties of 8-pyrazol-1-ylsulfonylquinoline?
8-pyrazol-1-ylsulfonylquinoline has a molecular weight of 259.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrazol-1-ylsulfonylquinoline is sourced from PubChem (CID 4619559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).