[1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine

C11H16ClFN2O2S — CID 103044368

IUPAC[1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C(Cc1ccc(F)c(Cl)c1)NN)S(C)(=O)=O
InChIInChI=1S/C11H16ClFN2O2S/c1-7(18(2,16)17)11(15-14)6-8-3-4-10(13)9(12)5-8/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeyBEJUHCREYGARFM-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.29
Rot. Bonds5

About [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine

[1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine (PubChem CID 103044368) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
PubChem CID103044368
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name[1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCC(C(Cc1ccc(F)c(Cl)c1)NN)S(C)(=O)=O
InChIInChI=1S/C11H16ClFN2O2S/c1-7(18(2,16)17)11(15-14)6-8-3-4-10(13)9(12)5-8/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeyBEJUHCREYGARFM-UHFFFAOYSA-N
XLogP1.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.29
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'}

Analyze [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,5-dichlorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105309866
[1-(4-bromophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105284414
1-(3,4-difluorophenyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 113422166
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
2-chloro-1-fluoro-4-(methylsulfonylmethyl)benzene
CID 2761444
1-(3-chloro-4-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 103039834
[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
CID 103044125
1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
CID 103044391
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219724
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105210893
[2-(3-chloro-4-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694830

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine (CID 103044368) is [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine is CC(C(Cc1ccc(F)c(Cl)c1)NN)S(C)(=O)=O.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine?
The InChIKey is BEJUHCREYGARFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-7(18(2,16)17)11(15-14)6-8-3-4-10(13)9(12)5-8/h3-5,7,11,15H,6,14H2,1-2H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine?
[1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine has a molecular weight of 294.78 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine is sourced from PubChem (CID 103044368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).