4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide

C16H18FNO3S — CID 2229969

IUPAC4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO3S/c1-2-13-3-9-16(10-4-13)22(19,20)18-11-12-21-15-7-5-14(17)6-8-15/h3-10,18H,2,11-12H2,1H3
InChIKeyBPPLTGAFDWLKIO-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.75
Rot. Bonds7

About 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide

4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide (PubChem CID 2229969) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
PubChem CID2229969
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO3S/c1-2-13-3-9-16(10-4-13)22(19,20)18-11-12-21-15-7-5-14(17)6-8-15/h3-10,18H,2,11-12H2,1H3
InChIKeyBPPLTGAFDWLKIO-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.75
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 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide (CID 2229969) is 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide?
The InChIKey is BPPLTGAFDWLKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-2-13-3-9-16(10-4-13)22(19,20)18-11-12-21-15-7-5-14(17)6-8-15/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide?
4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 2229969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).