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N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide

C12H10N6O2S — CID 121135032

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(-n2cccn2)ncn1)c1cccnc1
InChIInChI=1S/C12H10N6O2S/c19-21(20,10-3-1-4-13-8-10)17-11-7-12(15-9-14-11)18-6-2-5-16-18/h1-9H,(H,14,15,17)
InChIKeyDBLIEYOANMQNIQ-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.86
Rot. Bonds4

About N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide

N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide (PubChem CID 121135032) has the molecular formula C12H10N6O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide
PubChem CID121135032
Molecular FormulaC12H10N6O2S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC NameN-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(-n2cccn2)ncn1)c1cccnc1
InChIInChI=1S/C12H10N6O2S/c19-21(20,10-3-1-4-13-8-10)17-11-7-12(15-9-14-11)18-6-2-5-16-18/h1-9H,(H,14,15,17)
InChIKeyDBLIEYOANMQNIQ-UHFFFAOYSA-N
XLogP0.86
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide (CID 121135032) is N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1cc(-n2cccn2)ncn1)c1cccnc1.
What is the InChIKey of N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide?
The InChIKey is DBLIEYOANMQNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2S/c19-21(20,10-3-1-4-13-8-10)17-11-7-12(15-9-14-11)18-6-2-5-16-18/h1-9H,(H,14,15,17).
What are the key properties of N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide?
N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide has a molecular weight of 302.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 121135032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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