[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine

C14H17N3O2S — CID 105333643

IUPAC[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
SMILESCS(=O)(=O)c1ccc(C(Cc2cccnc2)NN)cc1
InChIInChI=1S/C14H17N3O2S/c1-20(18,19)13-6-4-12(5-7-13)14(17-15)9-11-3-2-8-16-10-11/h2-8,10,14,17H,9,15H2,1H3
InChIKeyQWXYBINWHXDNQK-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.23
Rot. Bonds5

About [1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine

[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine (PubChem CID 105333643) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
PubChem CID105333643
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
SMILESCS(=O)(=O)c1ccc(C(Cc2cccnc2)NN)cc1
InChIInChI=1S/C14H17N3O2S/c1-20(18,19)13-6-4-12(5-7-13)14(17-15)9-11-3-2-8-16-10-11/h2-8,10,14,17H,9,15H2,1H3
InChIKeyQWXYBINWHXDNQK-UHFFFAOYSA-N
XLogP1.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.23
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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Related Compounds

[1-(4-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283057
[2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105284995
[2-(3-bromophenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105284506
[1-(6-chloro-3-pyridinyl)-2-pyridin-3-ylethyl]hydrazine
CID 105253061
[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105331705
[1-(4-cyclopropyloxyphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105212080
[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283041
[1-(4-bromo-3-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333727
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105212034
[1-(3-bromo-5-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333652
[1-(5-methylpyrimidin-2-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105261546
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine
CID 107292272

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine?
The IUPAC name of [1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine (CID 105333643) is [1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine.
What is the SMILES notation for [1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine?
The canonical SMILES for [1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine is CS(=O)(=O)c1ccc(C(Cc2cccnc2)NN)cc1.
What is the InChIKey of [1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine?
The InChIKey is QWXYBINWHXDNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-20(18,19)13-6-4-12(5-7-13)14(17-15)9-11-3-2-8-16-10-11/h2-8,10,14,17H,9,15H2,1H3.
What are the key properties of [1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine?
[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine has a molecular weight of 291.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine is sourced from PubChem (CID 105333643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).