[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C14H21FN2O2S — CID 105192762

IUPAC[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)c2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2O2S/c1-20(18,19)13-4-2-3-11(9-13)14(17-16)10-5-7-12(15)8-6-10/h5-8,11,13-14,17H,2-4,9,16H2,1H3
InChIKeyIWOXEISEOSHKPL-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.93
Rot. Bonds4

About [(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 105192762) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is [(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID105192762
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)c2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2O2S/c1-20(18,19)13-4-2-3-11(9-13)14(17-16)10-5-7-12(15)8-6-10/h5-8,11,13-14,17H,2-4,9,16H2,1H3
InChIKeyIWOXEISEOSHKPL-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.93
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

[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105207898
[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924262
[(3-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105200776
[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324237
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693
[(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324276
[(3-bromo-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324194
[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324176
[(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 107979287
[3-bicyclo[3.1.0]hexanyl-(4-fluorophenyl)methyl]hydrazine
CID 105284054
[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251851
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014165

Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 105192762) is [(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is CS(=O)(=O)C1CCCC(C(NN)c2ccc(F)cc2)C1.
What is the InChIKey of [(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is IWOXEISEOSHKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-20(18,19)13-4-2-3-11(9-13)14(17-16)10-5-7-12(15)8-6-10/h5-8,11,13-14,17H,2-4,9,16H2,1H3.
What are the key properties of [(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 300.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105192762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).