[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine

C13H21FN2O2S — CID 105206869

IUPAC[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(Cc1ccccc1F)NN
InChIInChI=1S/C13H21FN2O2S/c1-2-19(17,18)9-5-7-12(16-15)10-11-6-3-4-8-13(11)14/h3-4,6,8,12,16H,2,5,7,9-10,15H2,1H3
InChIKeyXSQXHEGUUBCJMX-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.41
Rot. Bonds8

About [5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine

[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine (PubChem CID 105206869) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine
PubChem CID105206869
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC Name[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(Cc1ccccc1F)NN
InChIInChI=1S/C13H21FN2O2S/c1-2-19(17,18)9-5-7-12(16-15)10-11-6-3-4-8-13(11)14/h3-4,6,8,12,16H,2,5,7,9-10,15H2,1H3
InChIKeyXSQXHEGUUBCJMX-UHFFFAOYSA-N
XLogP1.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.41
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

1-(2-fluorophenyl)hexan-2-ylhydrazine
CID 105206821
[5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
CID 105236139
N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
CID 65097228
[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
CID 105310803
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703
1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine
CID 55095130
[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine
CID 105204960
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963
4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62514756
1-(2,6-difluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 79522023
1-(2,4-difluorophenyl)hexan-2-ylhydrazine
CID 105223048
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880

Frequently Asked Questions

What is the IUPAC name of [5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine?
The IUPAC name of [5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine (CID 105206869) is [5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine.
What is the SMILES notation for [5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine?
The canonical SMILES for [5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine is CCS(=O)(=O)CCCC(Cc1ccccc1F)NN.
What is the InChIKey of [5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine?
The InChIKey is XSQXHEGUUBCJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-2-19(17,18)9-5-7-12(16-15)10-11-6-3-4-8-13(11)14/h3-4,6,8,12,16H,2,5,7,9-10,15H2,1H3.
What are the key properties of [5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine?
[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine has a molecular weight of 288.39 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine is sourced from PubChem (CID 105206869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).