2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline

C14H13ClFNO3S — CID 69225847

IUPAC2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline
SMILESCCS(=O)(=O)c1ccc(Oc2cc(F)ccc2N)c(Cl)c1
InChIInChI=1S/C14H13ClFNO3S/c1-2-21(18,19)10-4-6-13(11(15)8-10)20-14-7-9(16)3-5-12(14)17/h3-8H,2,17H2,1H3
InChIKeyIFCPGNZNUMUHOB-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.65
Rot. Bonds4

About 2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline

2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline (PubChem CID 69225847) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline
PubChem CID69225847
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline
SMILESCCS(=O)(=O)c1ccc(Oc2cc(F)ccc2N)c(Cl)c1
InChIInChI=1S/C14H13ClFNO3S/c1-2-21(18,19)10-4-6-13(11(15)8-10)20-14-7-9(16)3-5-12(14)17/h3-8H,2,17H2,1H3
InChIKeyIFCPGNZNUMUHOB-UHFFFAOYSA-N
XLogP3.65
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline
CID 63676750
3-[2-(2-chloro-4-methylsulfonylphenoxy)-4-fluorophenoxy]prop-1-en-2-ol
CID 143006225
4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
CID 82902167
4-amino-3-(2-chloro-4-fluorophenoxy)benzonitrile
CID 104712633
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid
CID 11338670
4-ethylsulfonyl-2-propoxyaniline
CID 63670906
4-amino-3-(4-bromo-2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82902175
4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82900666

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline?
The IUPAC name of 2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline (CID 69225847) is 2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline.
What is the SMILES notation for 2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline?
The canonical SMILES for 2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline is CCS(=O)(=O)c1ccc(Oc2cc(F)ccc2N)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline?
The InChIKey is IFCPGNZNUMUHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-2-21(18,19)10-4-6-13(11(15)8-10)20-14-7-9(16)3-5-12(14)17/h3-8H,2,17H2,1H3.
What are the key properties of 2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline?
2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline has a molecular weight of 329.78 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline is sourced from PubChem (CID 69225847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).