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

C16H20N2O2S — CID 105284995

IUPAC[2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
SMILESCc1cccc(CC(NN)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-12-4-3-5-13(10-12)11-16(18-17)14-6-8-15(9-7-14)21(2,19)20/h3-10,16,18H,11,17H2,1-2H3
InChIKeyWDDNRSGQHZHFCK-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.15
Rot. Bonds5

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

[2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine (PubChem CID 105284995) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is [2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
PubChem CID105284995
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name[2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
SMILESCc1cccc(CC(NN)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-12-4-3-5-13(10-12)11-16(18-17)14-6-8-15(9-7-14)21(2,19)20/h3-10,16,18H,11,17H2,1-2H3
InChIKeyWDDNRSGQHZHFCK-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.15
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

[2-(3-bromophenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105284506
[1-(4-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283057
[1-(4-tert-butylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105209061
[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333643
[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283041
[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105331705
2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
[1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285057
[2-(3-methylphenyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196124
2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 114980373
[3-ethyl-1-(4-methylsulfonylphenyl)pentyl]hydrazine
CID 105330976
[1-(2-bromo-4-methylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285025

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine (CID 105284995) is [2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine is Cc1cccc(CC(NN)c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of [2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
The InChIKey is WDDNRSGQHZHFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-4-3-5-13(10-12)11-16(18-17)14-6-8-15(9-7-14)21(2,19)20/h3-10,16,18H,11,17H2,1-2H3.
What are the key properties of [2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
[2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine has a molecular weight of 304.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105284995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).