[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine

C12H17F3N2O3S — CID 105290912

IUPAC[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2O3S/c1-21(18,19)8-2-3-11(17-16)9-4-6-10(7-5-9)20-12(13,14)15/h4-7,11,17H,2-3,8,16H2,1H3
InChIKeyLSUJPZQVOLOAGE-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.91
Rot. Bonds7

About [4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine

[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine (PubChem CID 105290912) has the molecular formula C12H17F3N2O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is [4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine.

Molecular Properties

Compound Name[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
PubChem CID105290912
Molecular FormulaC12H17F3N2O3S
Molecular Weight326.34 g/mol
Exact Mass326.09
IUPAC Name[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2O3S/c1-21(18,19)8-2-3-11(17-16)9-4-6-10(7-5-9)20-12(13,14)15/h4-7,11,17H,2-3,8,16H2,1H3
InChIKeyLSUJPZQVOLOAGE-UHFFFAOYSA-N
XLogP1.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.91
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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Related Compounds

4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 65148112
[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105197317
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
1-[4-(trifluoromethoxy)phenyl]hex-5-enylhydrazine
CID 105311316
1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine
CID 105307892
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819
[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823
[1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105252974
[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105290849
[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290938
[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
CID 105319572
4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butan-1-one
CID 114965085

Frequently Asked Questions

What is the IUPAC name of [4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine?
The IUPAC name of [4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine (CID 105290912) is [4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine.
What is the SMILES notation for [4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine?
The canonical SMILES for [4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine is CS(=O)(=O)CCCC(NN)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine?
The InChIKey is LSUJPZQVOLOAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3S/c1-21(18,19)8-2-3-11(17-16)9-4-6-10(7-5-9)20-12(13,14)15/h4-7,11,17H,2-3,8,16H2,1H3.
What are the key properties of [4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine?
[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine has a molecular weight of 326.34 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine is sourced from PubChem (CID 105290912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).