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

C16H18FNO3S — CID 9450706

IUPAC4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2ccccc2F)cc1
InChIInChI=1S/C16H18FNO3S/c1-2-13-7-9-14(10-8-13)22(19,20)18-11-12-21-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12H2,1H3
InChIKeyNCZSHVZVGWAJQJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.75
Rot. Bonds7

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

4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide (PubChem CID 9450706) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
PubChem CID9450706
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2ccccc2F)cc1
InChIInChI=1S/C16H18FNO3S/c1-2-13-7-9-14(10-8-13)22(19,20)18-11-12-21-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12H2,1H3
InChIKeyNCZSHVZVGWAJQJ-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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Related Compounds

N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide
CID 113100960
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
CID 142750252
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
N-[2-(2-fluorophenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099232
1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 110410208
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide
CID 55352634
2-(2-ethylphenoxy)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 108574520

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide (CID 9450706) is 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCOc2ccccc2F)cc1.
What is the InChIKey of 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
The InChIKey is NCZSHVZVGWAJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-2-13-7-9-14(10-8-13)22(19,20)18-11-12-21-16-6-4-3-5-15(16)17/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide?
4-ethyl-N-[2-(2-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-(2-fluorophenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 9450706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).