[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C14H20ClFN2O2S — CID 105324237

IUPAC[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)c2cccc(F)c2Cl)C1
InChIInChI=1S/C14H20ClFN2O2S/c1-21(19,20)10-5-2-4-9(8-10)14(18-17)11-6-3-7-12(16)13(11)15/h3,6-7,9-10,14,18H,2,4-5,8,17H2,1H3
InChIKeyYLCRGEVFAFETAS-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.59
Rot. Bonds4

About [(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 105324237) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is [(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID105324237
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)c2cccc(F)c2Cl)C1
InChIInChI=1S/C14H20ClFN2O2S/c1-21(19,20)10-5-2-4-9(8-10)14(18-17)11-6-3-7-12(16)13(11)15/h3,6-7,9-10,14,18H,2,4-5,8,17H2,1H3
InChIKeyYLCRGEVFAFETAS-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.59
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-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324176
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693
[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 106860095
[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105192762
(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014355
[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105207898
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014244
[(3-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105200776
[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251851
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992251
[(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105248750
[(2-chloro-3-fluorophenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306562

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 105324237) is [(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is CS(=O)(=O)C1CCCC(C(NN)c2cccc(F)c2Cl)C1.
What is the InChIKey of [(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is YLCRGEVFAFETAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-21(19,20)10-5-2-4-9(8-10)14(18-17)11-6-3-7-12(16)13(11)15/h3,6-7,9-10,14,18H,2,4-5,8,17H2,1H3.
What are the key properties of [(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 334.84 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105324237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).