3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine

C13H10FN3O2S2 — CID 53323599

IUPAC3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2cccnc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10FN3O2S2/c1-20-13-11(12-15-7-2-8-17(12)16-13)21(18,19)10-5-3-9(14)4-6-10/h2-8H,1H3
InChIKeyWTCSFQDXLLFGFG-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.42
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine

3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine (PubChem CID 53323599) has the molecular formula C13H10FN3O2S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
PubChem CID53323599
Molecular FormulaC13H10FN3O2S2
Molecular Weight323.37 g/mol
Exact Mass323.02
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2cccnc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10FN3O2S2/c1-20-13-11(12-15-7-2-8-17(12)16-13)21(18,19)10-5-3-9(14)4-6-10/h2-8H,1H3
InChIKeyWTCSFQDXLLFGFG-UHFFFAOYSA-N
XLogP2.42
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine (CID 53323599) is 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine is CSc1nn2cccnc2c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WTCSFQDXLLFGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S2/c1-20-13-11(12-15-7-2-8-17(12)16-13)21(18,19)10-5-3-9(14)4-6-10/h2-8H,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine has a molecular weight of 323.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53323599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).