[(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C13H19Cl2N3O2S — CID 105248750

IUPAC[(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)c2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C13H19Cl2N3O2S/c1-21(19,20)10-4-2-3-8(5-10)12(18-16)13-11(15)6-9(14)7-17-13/h6-8,10,12,18H,2-5,16H2,1H3
InChIKeySLBMGUPPLNGWSB-UHFFFAOYSA-N
MW352.29 g/mol
LogP2.50
Rot. Bonds4

About [(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 105248750) has the molecular formula C13H19Cl2N3O2S and a molecular weight of 352.29 g/mol. Its IUPAC name is [(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID105248750
Molecular FormulaC13H19Cl2N3O2S
Molecular Weight352.29 g/mol
Exact Mass351.06
IUPAC Name[(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)c2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C13H19Cl2N3O2S/c1-21(19,20)10-4-2-3-8(5-10)12(18-16)13-11(15)6-9(14)7-17-13/h6-8,10,12,18H,2-5,16H2,1H3
InChIKeySLBMGUPPLNGWSB-UHFFFAOYSA-N
XLogP2.50
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 105248750) is [(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is CS(=O)(=O)C1CCCC(C(NN)c2ncc(Cl)cc2Cl)C1.
What is the InChIKey of [(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is SLBMGUPPLNGWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O2S/c1-21(19,20)10-4-2-3-8(5-10)12(18-16)13-11(15)6-9(14)7-17-13/h6-8,10,12,18H,2-5,16H2,1H3.
What are the key properties of [(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 352.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105248750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).