N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide

C9H11FN2O2S — CID 2245502

IUPACN'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide
SMILESC=C(NNS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C9H11FN2O2S/c1-7(11-12-15(2,13)14)8-3-5-9(10)6-4-8/h3-6,11-12H,1H2,2H3
InChIKeyKGIONJORTDUIIG-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.85
Rot. Bonds4

About N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide

N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide (PubChem CID 2245502) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide
PubChem CID2245502
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC NameN'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide
SMILESC=C(NNS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C9H11FN2O2S/c1-7(11-12-15(2,13)14)8-3-5-9(10)6-4-8/h3-6,11-12H,1H2,2H3
InChIKeyKGIONJORTDUIIG-UHFFFAOYSA-N
XLogP0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide
CID 2588432
1-(4-fluorophenyl)ethenylhydrazine
CID 70318668
2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethyl methanesulfonate
CID 91464018
4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
CID 3644103
1-(4-fluorophenyl)-N,N-dimethylethenamine
CID 54285953
N-[fluoro(methoxy)methyl]-1-(4-fluorophenyl)ethenamine
CID 154961784
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
4-fluoro-N-prop-1-en-2-ylbenzenesulfonamide
CID 175173681
1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene
CID 132600252
4-fluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368090
1-buta-1,3-dien-2-yl-4-fluorobenzene
CID 45090452
N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2690799

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide (CID 2245502) is N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide is C=C(NNS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide?
The InChIKey is KGIONJORTDUIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c1-7(11-12-15(2,13)14)8-3-5-9(10)6-4-8/h3-6,11-12H,1H2,2H3.
What are the key properties of N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide?
N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide has a molecular weight of 230.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide is sourced from PubChem (CID 2245502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).