4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide

C14H13FN4O3S — CID 91629182

IUPAC4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc3ccnn3c2)cc1F
InChIInChI=1S/C14H13FN4O3S/c1-2-22-13-4-3-11(7-12(13)15)23(20,21)18-10-8-16-14-5-6-17-19(14)9-10/h3-9,18H,2H2,1H3
InChIKeyHFECOTJAKTUWMM-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.07
Rot. Bonds5

About 4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide

4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide (PubChem CID 91629182) has the molecular formula C14H13FN4O3S and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
PubChem CID91629182
Molecular FormulaC14H13FN4O3S
Molecular Weight336.35 g/mol
Exact Mass336.07
IUPAC Name4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc3ccnn3c2)cc1F
InChIInChI=1S/C14H13FN4O3S/c1-2-22-13-4-3-11(7-12(13)15)23(20,21)18-10-8-16-14-5-6-17-19(14)9-10/h3-9,18H,2H2,1H3
InChIKeyHFECOTJAKTUWMM-UHFFFAOYSA-N
XLogP2.07
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide (CID 91629182) is 4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnc3ccnn3c2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The InChIKey is HFECOTJAKTUWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3S/c1-2-22-13-4-3-11(7-12(13)15)23(20,21)18-10-8-16-14-5-6-17-19(14)9-10/h3-9,18H,2H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide has a molecular weight of 336.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide is sourced from PubChem (CID 91629182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).