[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine

C15H18N2O2S — CID 105283041

IUPAC[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
SMILESCS(=O)(=O)c1cccc(C(Cc2ccccc2)NN)c1
InChIInChI=1S/C15H18N2O2S/c1-20(18,19)14-9-5-8-13(11-14)15(17-16)10-12-6-3-2-4-7-12/h2-9,11,15,17H,10,16H2,1H3
InChIKeyBURDVBKMSBMUBY-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.84
Rot. Bonds5

About [1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine

[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine (PubChem CID 105283041) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
PubChem CID105283041
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
SMILESCS(=O)(=O)c1cccc(C(Cc2ccccc2)NN)c1
InChIInChI=1S/C15H18N2O2S/c1-20(18,19)14-9-5-8-13(11-14)15(17-16)10-12-6-3-2-4-7-12/h2-9,11,15,17H,10,16H2,1H3
InChIKeyBURDVBKMSBMUBY-UHFFFAOYSA-N
XLogP1.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
1-(3-methylsulfonylphenyl)-2-phenylethanol
CID 114976498
[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315250
[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105299901
[2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105284995
[2-(3-bromophenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105284506
[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105328847
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333643
(3-methylsulfonylphenyl) 2-methyl-3-phenylpropanoate
CID 174937203
N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
CID 63199908
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine?
The IUPAC name of [1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine (CID 105283041) is [1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine.
What is the SMILES notation for [1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine?
The canonical SMILES for [1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine is CS(=O)(=O)c1cccc(C(Cc2ccccc2)NN)c1.
What is the InChIKey of [1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine?
The InChIKey is BURDVBKMSBMUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-20(18,19)14-9-5-8-13(11-14)15(17-16)10-12-6-3-2-4-7-12/h2-9,11,15,17H,10,16H2,1H3.
What are the key properties of [1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine?
[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine has a molecular weight of 290.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine is sourced from PubChem (CID 105283041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).