N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide

C15H13ClFNO3S — CID 173031210

IUPACN-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(F)C=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClFNO3S/c1-21-14-6-8-15(9-7-14)22(19,20)18(17)11-10-12-2-4-13(16)5-3-12/h2-11H,1H3
InChIKeyZDKHRVZSBUTXQX-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.89
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide

N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide (PubChem CID 173031210) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide
PubChem CID173031210
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC NameN-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(F)C=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClFNO3S/c1-21-14-6-8-15(9-7-14)22(19,20)18(17)11-10-12-2-4-13(16)5-3-12/h2-11H,1H3
InChIKeyZDKHRVZSBUTXQX-UHFFFAOYSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide (CID 173031210) is N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(F)C=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is ZDKHRVZSBUTXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c1-21-14-6-8-15(9-7-14)22(19,20)18(17)11-10-12-2-4-13(16)5-3-12/h2-11H,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide?
N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 341.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 173031210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).