[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine

C13H16N2O3S — CID 105331705

IUPAC[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
SMILESCS(=O)(=O)c1ccc(C(Cc2ccoc2)NN)cc1
InChIInChI=1S/C13H16N2O3S/c1-19(16,17)12-4-2-11(3-5-12)13(15-14)8-10-6-7-18-9-10/h2-7,9,13,15H,8,14H2,1H3
InChIKeyKLXHSYZOKRYDLP-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.43
Rot. Bonds5

About [2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine

[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine (PubChem CID 105331705) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is [2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
PubChem CID105331705
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
SMILESCS(=O)(=O)c1ccc(C(Cc2ccoc2)NN)cc1
InChIInChI=1S/C13H16N2O3S/c1-19(16,17)12-4-2-11(3-5-12)13(15-14)8-10-6-7-18-9-10/h2-7,9,13,15H,8,14H2,1H3
InChIKeyKLXHSYZOKRYDLP-UHFFFAOYSA-N
XLogP1.43
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.43
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

2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105029850
[1-(4-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283057
[1-(3,4-dimethylphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331703
[2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105284995
[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333643
[2-(3-bromophenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105284506
[3-ethyl-1-(4-methylsulfonylphenyl)pentyl]hydrazine
CID 105330976
[1-(2,6-dimethyl-4-pyridinyl)-2-(furan-3-yl)ethyl]hydrazine
CID 107504852
[1-(3-bromo-5-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331717
[2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105321777
[1-(5-bromo-3-pyridinyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105251116
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188

Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine (CID 105331705) is [2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine is CS(=O)(=O)c1ccc(C(Cc2ccoc2)NN)cc1.
What is the InChIKey of [2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
The InChIKey is KLXHSYZOKRYDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-19(16,17)12-4-2-11(3-5-12)13(15-14)8-10-6-7-18-9-10/h2-7,9,13,15H,8,14H2,1H3.
What are the key properties of [2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine has a molecular weight of 280.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105331705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).