[(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine

C15H17FN2O2S — CID 105302391

IUPAC[(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
SMILESCc1cc(F)ccc1C(NN)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-8-12(16)6-7-14(10)15(18-17)11-4-3-5-13(9-11)21(2,19)20/h3-9,15,18H,17H2,1-2H3
InChIKeyLYEKHINJWNOSLC-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.09
Rot. Bonds4

About [(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine

[(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine (PubChem CID 105302391) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is [(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
PubChem CID105302391
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name[(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
SMILESCc1cc(F)ccc1C(NN)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H17FN2O2S/c1-10-8-12(16)6-7-14(10)15(18-17)11-4-3-5-13(9-11)21(2,19)20/h3-9,15,18H,17H2,1-2H3
InChIKeyLYEKHINJWNOSLC-UHFFFAOYSA-N
XLogP2.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.09
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

[(5-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105302119
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 115852484
[(4-fluoro-2-methylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105192975
[(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105301936
[(2,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105193044
[furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105305957
[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105256714
(R)-(2,4-dimethylphenyl)-(3-methylsulfonylphenyl)methanamine
CID 28500831
(S)-(2,4-dimethylphenyl)-(3-methylsulfonylphenyl)methanamine
CID 28500829
[(3-bromo-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302505
[(3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 105285550
[(2-fluoro-6-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105252432

Frequently Asked Questions

What is the IUPAC name of [(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine?
The IUPAC name of [(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine (CID 105302391) is [(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine?
The canonical SMILES for [(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine is Cc1cc(F)ccc1C(NN)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of [(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine?
The InChIKey is LYEKHINJWNOSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-8-12(16)6-7-14(10)15(18-17)11-4-3-5-13(9-11)21(2,19)20/h3-9,15,18H,17H2,1-2H3.
What are the key properties of [(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine?
[(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine has a molecular weight of 308.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine is sourced from PubChem (CID 105302391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).