[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C15H23ClN2O2S — CID 106860095

IUPAC[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCCC(S(C)(=O)=O)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2S/c1-10-6-7-13(14(16)8-10)15(18-17)11-4-3-5-12(9-11)21(2,19)20/h6-8,11-12,15,18H,3-5,9,17H2,1-2H3
InChIKeyYRDAFNMQXPOUOE-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.76
Rot. Bonds4

About [(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 106860095) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is [(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID106860095
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCCC(S(C)(=O)=O)C2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O2S/c1-10-6-7-13(14(16)8-10)15(18-17)11-4-3-5-12(9-11)21(2,19)20/h6-8,11-12,15,18H,3-5,9,17H2,1-2H3
InChIKeyYRDAFNMQXPOUOE-UHFFFAOYSA-N
XLogP2.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.76
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-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105200776
[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324176
[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324237
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693
[(3-bromo-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324194
[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251851
[(3,5-dichloro-2-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105248750
[(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324276
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106859916
[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105207898
[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105192762
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014378

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 106860095) is [(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is Cc1ccc(C(NN)C2CCCC(S(C)(=O)=O)C2)c(Cl)c1.
What is the InChIKey of [(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is YRDAFNMQXPOUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-10-6-7-13(14(16)8-10)15(18-17)11-4-3-5-12(9-11)21(2,19)20/h6-8,11-12,15,18H,3-5,9,17H2,1-2H3.
What are the key properties of [(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 330.88 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 106860095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).