4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide

C12H11N5O2S2 — CID 42612337

IUPAC4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide
SMILESCSc1ncnc2c1cnn2-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H11N5O2S2/c1-20-12-10-6-16-17(11(10)14-7-15-12)8-2-4-9(5-3-8)21(13,18)19/h2-7H,1H3,(H2,13,18,19)
InChIKeyYQPUCDQCEHAXMQ-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.18
Rot. Bonds3

About 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide

4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide (PubChem CID 42612337) has the molecular formula C12H11N5O2S2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide
PubChem CID42612337
Molecular FormulaC12H11N5O2S2
Molecular Weight321.39 g/mol
Exact Mass321.04
IUPAC Name4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide
SMILESCSc1ncnc2c1cnn2-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H11N5O2S2/c1-20-12-10-6-16-17(11(10)14-7-15-12)8-2-4-9(5-3-8)21(13,18)19/h2-7H,1H3,(H2,13,18,19)
InChIKeyYQPUCDQCEHAXMQ-UHFFFAOYSA-N
XLogP1.18
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide 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 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide (CID 42612337) is 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide is CSc1ncnc2c1cnn2-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide?
The InChIKey is YQPUCDQCEHAXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S2/c1-20-12-10-6-16-17(11(10)14-7-15-12)8-2-4-9(5-3-8)21(13,18)19/h2-7H,1H3,(H2,13,18,19).
What are the key properties of 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide?
4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide has a molecular weight of 321.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 42612337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).