4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline

C14H14FNO3S — CID 39404405

IUPAC4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline
SMILESNc1ccc(S(=O)(=O)CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNO3S/c15-11-1-5-13(6-2-11)19-9-10-20(17,18)14-7-3-12(16)4-8-14/h1-8H,9-10,16H2
InChIKeyKPSQUHZHIOQYKV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.26
Rot. Bonds5

About 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline

4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline (PubChem CID 39404405) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline
PubChem CID39404405
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline
SMILESNc1ccc(S(=O)(=O)CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNO3S/c15-11-1-5-13(6-2-11)19-9-10-20(17,18)14-7-3-12(16)4-8-14/h1-8H,9-10,16H2
InChIKeyKPSQUHZHIOQYKV-UHFFFAOYSA-N
XLogP2.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-fluorophenyl)sulfonylpropoxy]aniline
CID 43444223
4-[2-(4-methylphenoxy)ethylsulfonyl]aniline
CID 39398000
5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid
CID 54007123
2-[2-(4-fluorophenyl)sulfonylethoxy]ethanamine
CID 94689042
4-[2-(3-ethylphenoxy)ethylsulfonyl]aniline
CID 39436109
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
4-(2-ethoxyethylsulfonyl)aniline
CID 61368221
4-[3-(3-bromophenyl)sulfonylpropoxy]aniline
CID 62805519
4-[2-(4-fluorophenyl)sulfanylethoxy]aniline
CID 43366307
1-[2-(2-chloroethoxy)ethylsulfonyl]-4-fluorobenzene
CID 63665436
2-(4-aminophenyl)sulfonylethyl sulfite
CID 174595239
4-[2-(hydroxy-methylidene-oxo-λ6-sulfanyl)oxyethylsulfonyl]aniline
CID 147476168

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline?
The IUPAC name of 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline (CID 39404405) is 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline?
The canonical SMILES for 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline is Nc1ccc(S(=O)(=O)CCOc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline?
The InChIKey is KPSQUHZHIOQYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c15-11-1-5-13(6-2-11)19-9-10-20(17,18)14-7-3-12(16)4-8-14/h1-8H,9-10,16H2.
What are the key properties of 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline?
4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline has a molecular weight of 295.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline is sourced from PubChem (CID 39404405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).