3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine

C13H11N3O2S2 — CID 53318300

IUPAC3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2cccnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11N3O2S2/c1-19-13-11(12-14-8-5-9-16(12)15-13)20(17,18)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyXGRULCORSXSJMU-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.28
Rot. Bonds3

About 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine

3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine (PubChem CID 53318300) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
PubChem CID53318300
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2cccnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11N3O2S2/c1-19-13-11(12-14-8-5-9-16(12)15-13)20(17,18)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyXGRULCORSXSJMU-UHFFFAOYSA-N
XLogP2.28
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine (CID 53318300) is 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine is CSc1nn2cccnc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XGRULCORSXSJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-19-13-11(12-14-8-5-9-16(12)15-13)20(17,18)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine has a molecular weight of 305.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53318300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).