3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide

C11H16FN3O3S — CID 79865248

IUPAC3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cccc(F)c1NN
InChIInChI=1S/C11H16FN3O3S/c1-15(6-7-19(2,17)18)11(16)8-4-3-5-9(12)10(8)14-13/h3-5,14H,6-7,13H2,1-2H3
InChIKeyLUVQOZLGXUZILQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.23
Rot. Bonds5

About 3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide

3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 79865248) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID79865248
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1cccc(F)c1NN
InChIInChI=1S/C11H16FN3O3S/c1-15(6-7-19(2,17)18)11(16)8-4-3-5-9(12)10(8)14-13/h3-5,14H,6-7,13H2,1-2H3
InChIKeyLUVQOZLGXUZILQ-UHFFFAOYSA-N
XLogP0.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.23
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

3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 79864806
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62660100
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
3-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide
CID 115549688
5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79844796
3-fluoro-2-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340868
N-cyclopropyl-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62662193
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 81249905
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313
N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 83114769
3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide
CID 114175770
N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62661675

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide (CID 79865248) is 3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide is CN(CCS(C)(=O)=O)C(=O)c1cccc(F)c1NN.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is LUVQOZLGXUZILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-15(6-7-19(2,17)18)11(16)8-4-3-5-9(12)10(8)14-13/h3-5,14H,6-7,13H2,1-2H3.
What are the key properties of 3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide?
3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 289.33 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 79865248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).