N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide

C9H11FN2O2S — CID 5333736

IUPACN-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide
SMILESC/C(=N\NS(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/h3-6,12H,1-2H3/b11-7+
InChIKeyWPHFEKLLQWMXAC-YRNVUSSQSA-N
MW230.26 g/mol
LogP1.10
Rot. Bonds3

About N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide

N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide (PubChem CID 5333736) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide
PubChem CID5333736
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC NameN-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide
SMILESC/C(=N\NS(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/h3-6,12H,1-2H3/b11-7+
InChIKeyWPHFEKLLQWMXAC-YRNVUSSQSA-N
XLogP1.10
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide?
The IUPAC name of N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide (CID 5333736) is N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide.
What is the SMILES notation for N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide?
The canonical SMILES for N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide is C/C(=N\NS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide?
The InChIKey is WPHFEKLLQWMXAC-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c1-7(11-12-15(2,13)14)8-3-5-9(10)6-4-8/h3-6,12H,1-2H3/b11-7+.
What are the key properties of N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide?
N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide has a molecular weight of 230.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-fluorophenyl)ethylideneamino]methanesulfonamide is sourced from PubChem (CID 5333736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).