1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine

C23H34N2O3S — CID 163772048

IUPAC1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine
SMILESCCCCNN(CCCC)c1cc(C)cc(S(C)(=O)=O)c1Oc1ccc(C)cc1
InChIInChI=1S/C23H34N2O3S/c1-6-8-14-24-25(15-9-7-2)21-16-19(4)17-22(29(5,26)27)23(21)28-20-12-10-18(3)11-13-20/h10-13,16-17,24H,6-9,14-15H2,1-5H3
InChIKeyMHGNVBKERNNVJT-UHFFFAOYSA-N
MW418.60 g/mol
LogP5.41
Rot. Bonds11

About 1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine

1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine (PubChem CID 163772048) has the molecular formula C23H34N2O3S and a molecular weight of 418.60 g/mol. Its IUPAC name is 1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine.

Molecular Properties

Compound Name1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine
PubChem CID163772048
Molecular FormulaC23H34N2O3S
Molecular Weight418.60 g/mol
Exact Mass418.23
IUPAC Name1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine
SMILESCCCCNN(CCCC)c1cc(C)cc(S(C)(=O)=O)c1Oc1ccc(C)cc1
InChIInChI=1S/C23H34N2O3S/c1-6-8-14-24-25(15-9-7-2)21-16-19(4)17-22(29(5,26)27)23(21)28-20-12-10-18(3)11-13-20/h10-13,16-17,24H,6-9,14-15H2,1-5H3
InChIKeyMHGNVBKERNNVJT-UHFFFAOYSA-N
XLogP5.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.60
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine?
The IUPAC name of 1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine (CID 163772048) is 1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine.
What is the SMILES notation for 1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine?
The canonical SMILES for 1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine is CCCCNN(CCCC)c1cc(C)cc(S(C)(=O)=O)c1Oc1ccc(C)cc1.
What is the InChIKey of 1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine?
The InChIKey is MHGNVBKERNNVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3S/c1-6-8-14-24-25(15-9-7-2)21-16-19(4)17-22(29(5,26)27)23(21)28-20-12-10-18(3)11-13-20/h10-13,16-17,24H,6-9,14-15H2,1-5H3.
What are the key properties of 1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine?
1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine has a molecular weight of 418.60 g/mol, XLogP of 5.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-1-[5-methyl-2-(4-methylphenoxy)-3-methylsulfonylphenyl]hydrazine is sourced from PubChem (CID 163772048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).