3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide

C13H10N4O3S — CID 91369447

IUPAC3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide
SMILESNS(=O)(=O)n1nc(C(=O)c2ccccc2)c2cccnc21
InChIInChI=1S/C13H10N4O3S/c14-21(19,20)17-13-10(7-4-8-15-13)11(16-17)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,19,20)
InChIKeyQPWNPMDNMAKUKC-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.71
Rot. Bonds3

About 3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide

3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide (PubChem CID 91369447) has the molecular formula C13H10N4O3S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide.

Molecular Properties

Compound Name3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide
PubChem CID91369447
Molecular FormulaC13H10N4O3S
Molecular Weight302.31 g/mol
Exact Mass302.05
IUPAC Name3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide
SMILESNS(=O)(=O)n1nc(C(=O)c2ccccc2)c2cccnc21
InChIInChI=1S/C13H10N4O3S/c14-21(19,20)17-13-10(7-4-8-15-13)11(16-17)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,19,20)
InChIKeyQPWNPMDNMAKUKC-UHFFFAOYSA-N
XLogP0.71
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide?
The IUPAC name of 3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide (CID 91369447) is 3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide.
What is the SMILES notation for 3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide?
The canonical SMILES for 3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide is NS(=O)(=O)n1nc(C(=O)c2ccccc2)c2cccnc21.
What is the InChIKey of 3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide?
The InChIKey is QPWNPMDNMAKUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c14-21(19,20)17-13-10(7-4-8-15-13)11(16-17)12(18)9-5-2-1-3-6-9/h1-8H,(H2,14,19,20).
What are the key properties of 3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide?
3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide has a molecular weight of 302.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoylpyrazolo[5,4-b]pyridine-1-sulfonamide is sourced from PubChem (CID 91369447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).