[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C14H20F2N2O2S — CID 105207898

IUPAC[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H20F2N2O2S/c1-21(19,20)13-4-2-3-9(7-13)14(18-17)10-5-11(15)8-12(16)6-10/h5-6,8-9,13-14,18H,2-4,7,17H2,1H3
InChIKeyCXCROCUVRPFHCO-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.07
Rot. Bonds4

About [(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 105207898) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is [(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID105207898
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H20F2N2O2S/c1-21(19,20)13-4-2-3-9(7-13)14(18-17)10-5-11(15)8-12(16)6-10/h5-6,8-9,13-14,18H,2-4,7,17H2,1H3
InChIKeyCXCROCUVRPFHCO-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.07
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

[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105192762
[(3-bromo-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324194
[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924262
[(3-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105200776
[(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324276
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693
[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324237
[(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 107979287
[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251851
[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 106860095
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014165
[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324176

Frequently Asked Questions

What is the IUPAC name of [(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 105207898) is [(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is CS(=O)(=O)C1CCCC(C(NN)c2cc(F)cc(F)c2)C1.
What is the InChIKey of [(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is CXCROCUVRPFHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-21(19,20)13-4-2-3-9(7-13)14(18-17)10-5-11(15)8-12(16)6-10/h5-6,8-9,13-14,18H,2-4,7,17H2,1H3.
What are the key properties of [(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 318.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105207898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).