[2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine

C13H20N4O2S — CID 61442784

IUPAC[2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine
SMILESNNc1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H20N4O2S/c14-15-12-3-1-2-4-13(12)20(18,19)17-9-7-16(8-10-17)11-5-6-11/h1-4,11,15H,5-10,14H2
InChIKeyURNNACBMCYXMNM-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.44
Rot. Bonds4

About [2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine

[2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine (PubChem CID 61442784) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine.

Molecular Properties

Compound Name[2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine
PubChem CID61442784
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine
SMILESNNc1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H20N4O2S/c14-15-12-3-1-2-4-13(12)20(18,19)17-9-7-16(8-10-17)11-5-6-11/h1-4,11,15H,5-10,14H2
InChIKeyURNNACBMCYXMNM-UHFFFAOYSA-N
XLogP0.44
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine?
The IUPAC name of [2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine (CID 61442784) is [2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine.
What is the SMILES notation for [2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine?
The canonical SMILES for [2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine is NNc1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of [2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine?
The InChIKey is URNNACBMCYXMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c14-15-12-3-1-2-4-13(12)20(18,19)17-9-7-16(8-10-17)11-5-6-11/h1-4,11,15H,5-10,14H2.
What are the key properties of [2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine?
[2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine has a molecular weight of 296.40 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]hydrazine is sourced from PubChem (CID 61442784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).