3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide

C14H16N6O2S — CID 24905162

IUPAC3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide
SMILESCC(C)n1nc(-c2cccc(S(N)(=O)=O)c2)c2c(N)ncnc21
InChIInChI=1S/C14H16N6O2S/c1-8(2)20-14-11(13(15)17-7-18-14)12(19-20)9-4-3-5-10(6-9)23(16,21)22/h3-8H,1-2H3,(H2,15,17,18)(H2,16,21,22)
InChIKeyWDMOOFMBMGLZGY-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.30
Rot. Bonds3

About 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide

3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide (PubChem CID 24905162) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide
PubChem CID24905162
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide
SMILESCC(C)n1nc(-c2cccc(S(N)(=O)=O)c2)c2c(N)ncnc21
InChIInChI=1S/C14H16N6O2S/c1-8(2)20-14-11(13(15)17-7-18-14)12(19-20)9-4-3-5-10(6-9)23(16,21)22/h3-8H,1-2H3,(H2,15,17,18)(H2,16,21,22)
InChIKeyWDMOOFMBMGLZGY-UHFFFAOYSA-N
XLogP1.30
TPSA129.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide (CID 24905162) is 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide is CC(C)n1nc(-c2cccc(S(N)(=O)=O)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide?
The InChIKey is WDMOOFMBMGLZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-8(2)20-14-11(13(15)17-7-18-14)12(19-20)9-4-3-5-10(6-9)23(16,21)22/h3-8H,1-2H3,(H2,15,17,18)(H2,16,21,22).
What are the key properties of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide?
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 24905162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).