2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide

C12H9FN4O2S — CID 91629172

IUPAC2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnc2ccnn2c1)c1ccccc1F
InChIInChI=1S/C12H9FN4O2S/c13-10-3-1-2-4-11(10)20(18,19)16-9-7-14-12-5-6-15-17(12)8-9/h1-8,16H
InChIKeyAJNVKMICZKIPTC-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.67
Rot. Bonds3

About 2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide

2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide (PubChem CID 91629172) has the molecular formula C12H9FN4O2S and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
PubChem CID91629172
Molecular FormulaC12H9FN4O2S
Molecular Weight292.30 g/mol
Exact Mass292.04
IUPAC Name2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnc2ccnn2c1)c1ccccc1F
InChIInChI=1S/C12H9FN4O2S/c13-10-3-1-2-4-11(10)20(18,19)16-9-7-14-12-5-6-15-17(12)8-9/h1-8,16H
InChIKeyAJNVKMICZKIPTC-UHFFFAOYSA-N
XLogP1.67
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
CID 91629175
4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
CID 91629182
N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103775603
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911
2-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616158
2-methoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide
CID 126833445
2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121017030
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-fluorobenzenesulfonamide
CID 24650300
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802116
4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide
CID 166397649
2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563905

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide (CID 91629172) is 2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide is O=S(=O)(Nc1cnc2ccnn2c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The InChIKey is AJNVKMICZKIPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2S/c13-10-3-1-2-4-11(10)20(18,19)16-9-7-14-12-5-6-15-17(12)8-9/h1-8,16H.
What are the key properties of 2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide has a molecular weight of 292.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide is sourced from PubChem (CID 91629172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).