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

C14H14N4O3S — CID 91629175

IUPAC2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)Nc1cnc2ccnn2c1
InChIInChI=1S/C14H14N4O3S/c1-2-21-12-5-3-4-6-13(12)22(19,20)17-11-9-15-14-7-8-16-18(14)10-11/h3-10,17H,2H2,1H3
InChIKeyHRHWHEQJQTXUGL-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.93
Rot. Bonds5

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

2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide (PubChem CID 91629175) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
PubChem CID91629175
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)Nc1cnc2ccnn2c1
InChIInChI=1S/C14H14N4O3S/c1-2-21-12-5-3-4-6-13(12)22(19,20)17-11-9-15-14-7-8-16-18(14)10-11/h3-10,17H,2H2,1H3
InChIKeyHRHWHEQJQTXUGL-UHFFFAOYSA-N
XLogP1.93
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide (CID 91629175) is 2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide is CCOc1ccccc1S(=O)(=O)Nc1cnc2ccnn2c1.
What is the InChIKey of 2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The InChIKey is HRHWHEQJQTXUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-2-21-12-5-3-4-6-13(12)22(19,20)17-11-9-15-14-7-8-16-18(14)10-11/h3-10,17H,2H2,1H3.
What are the key properties of 2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide has a molecular weight of 318.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide is sourced from PubChem (CID 91629175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).