[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine

C12H19FN2O2S — CID 105290996

IUPAC[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
SMILESCc1cccc(C(CCCS(C)(=O)=O)NN)c1F
InChIInChI=1S/C12H19FN2O2S/c1-9-5-3-6-10(12(9)13)11(15-14)7-4-8-18(2,16)17/h3,5-6,11,15H,4,7-8,14H2,1-2H3
InChIKeyAGFWAWISGRTUDS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.46
Rot. Bonds6

About [1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine

[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 105290996) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is [1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
PubChem CID105290996
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
SMILESCc1cccc(C(CCCS(C)(=O)=O)NN)c1F
InChIInChI=1S/C12H19FN2O2S/c1-9-5-3-6-10(12(9)13)11(15-14)7-4-8-18(2,16)17/h3,5-6,11,15H,4,7-8,14H2,1-2H3
InChIKeyAGFWAWISGRTUDS-UHFFFAOYSA-N
XLogP1.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.46
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-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290950
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848387
1-(2-fluoro-3-methylphenyl)octylhydrazine
CID 105293647
1-(2-fluoro-3-methylphenyl)undecylhydrazine
CID 105298411
[4-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105290966
[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
[1-(4-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105279776
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
CID 115865493
[4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine
CID 105313967
N-methyl-1-(2-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 63192498
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine (CID 105290996) is [1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine is Cc1cccc(C(CCCS(C)(=O)=O)NN)c1F.
What is the InChIKey of [1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is AGFWAWISGRTUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-9-5-3-6-10(12(9)13)11(15-14)7-4-8-18(2,16)17/h3,5-6,11,15H,4,7-8,14H2,1-2H3.
What are the key properties of [1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine?
[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 274.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105290996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).