4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide

C11H11N7O2S — CID 42612019

IUPAC4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
SMILESNNc1ncnc2c1cnn2-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H11N7O2S/c12-17-10-9-5-16-18(11(9)15-6-14-10)7-1-3-8(4-2-7)21(13,19)20/h1-6H,12H2,(H2,13,19,20)(H,14,15,17)
InChIKeySSTAIMNQUPCIQL-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.25
Rot. Bonds3

About 4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide

4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide (PubChem CID 42612019) has the molecular formula C11H11N7O2S and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
PubChem CID42612019
Molecular FormulaC11H11N7O2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC Name4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
SMILESNNc1ncnc2c1cnn2-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H11N7O2S/c12-17-10-9-5-16-18(11(9)15-6-14-10)7-1-3-8(4-2-7)21(13,19)20/h1-6H,12H2,(H2,13,19,20)(H,14,15,17)
InChIKeySSTAIMNQUPCIQL-UHFFFAOYSA-N
XLogP-0.25
TPSA141.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 46299479
[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 82192496
4-[2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 30877189
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2043166
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 4737111
N-(cyclopropylmethyl)-3-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)aniline
CID 67558320
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 154836519
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
CID 59447546
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
(1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
CID 165449025
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide (CID 42612019) is 4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide is NNc1ncnc2c1cnn2-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide?
The InChIKey is SSTAIMNQUPCIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O2S/c12-17-10-9-5-16-18(11(9)15-6-14-10)7-1-3-8(4-2-7)21(13,19)20/h1-6H,12H2,(H2,13,19,20)(H,14,15,17).
What are the key properties of 4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide?
4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide has a molecular weight of 305.32 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinylpyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 42612019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).