N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide

C15H16FNO3S — CID 30867091

IUPACN-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCOc1ccc(F)cc1
InChIInChI=1S/C15H16FNO3S/c16-14-6-8-15(9-7-14)20-11-10-17-21(18,19)12-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeyIHDAXNOLHLNBIA-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.32
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide

N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide (PubChem CID 30867091) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide
PubChem CID30867091
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCOc1ccc(F)cc1
InChIInChI=1S/C15H16FNO3S/c16-14-6-8-15(9-7-14)20-11-10-17-21(18,19)12-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeyIHDAXNOLHLNBIA-UHFFFAOYSA-N
XLogP2.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide (CID 30867091) is N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is IHDAXNOLHLNBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-14-6-8-15(9-7-14)20-11-10-17-21(18,19)12-13-4-2-1-3-5-13/h1-9,17H,10-12H2.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide?
N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 30867091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).