4-ethoxy-2-(2-fluoroethylsulfonyl)aniline

C10H14FNO3S — CID 81176417

IUPAC4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
SMILESCCOc1ccc(N)c(S(=O)(=O)CCF)c1
InChIInChI=1S/C10H14FNO3S/c1-2-15-8-3-4-9(12)10(7-8)16(13,14)6-5-11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyYISGXZILNDAAKE-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.41
Rot. Bonds5

About 4-ethoxy-2-(2-fluoroethylsulfonyl)aniline

4-ethoxy-2-(2-fluoroethylsulfonyl)aniline (PubChem CID 81176417) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-ethoxy-2-(2-fluoroethylsulfonyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
PubChem CID81176417
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
SMILESCCOc1ccc(N)c(S(=O)(=O)CCF)c1
InChIInChI=1S/C10H14FNO3S/c1-2-15-8-3-4-9(12)10(7-8)16(13,14)6-5-11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyYISGXZILNDAAKE-UHFFFAOYSA-N
XLogP1.41
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.41
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

4-ethoxy-2-(3-methylbutylsulfonyl)aniline
CID 81175786
4-ethoxy-2-[2-(trifluoromethoxy)ethylsulfonyl]aniline
CID 81174673
6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol
CID 107707390
4-ethoxy-2-(4-methoxybutylsulfonyl)aniline
CID 104650980
4-ethoxy-2-(ethoxymethylsulfonyl)aniline
CID 81174679
2-(2-amino-5-ethoxyphenyl)sulfonylacetamide
CID 81176156
4-ethoxy-2-(3-pyrrolidin-1-ylpropylsulfonyl)aniline
CID 81175150
4-ethoxy-2-(2-pyridin-2-ylethylsulfonyl)aniline
CID 81174676
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
CID 81175054
4-ethoxy-2-(3-imidazol-1-ylpropylsulfonyl)aniline
CID 81175287
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175778
4-ethoxy-2-[(5-methyl-3-pyridinyl)methylsulfonyl]aniline
CID 102879919

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(2-fluoroethylsulfonyl)aniline?
The IUPAC name of 4-ethoxy-2-(2-fluoroethylsulfonyl)aniline (CID 81176417) is 4-ethoxy-2-(2-fluoroethylsulfonyl)aniline.
What is the SMILES notation for 4-ethoxy-2-(2-fluoroethylsulfonyl)aniline?
The canonical SMILES for 4-ethoxy-2-(2-fluoroethylsulfonyl)aniline is CCOc1ccc(N)c(S(=O)(=O)CCF)c1.
What is the InChIKey of 4-ethoxy-2-(2-fluoroethylsulfonyl)aniline?
The InChIKey is YISGXZILNDAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-2-15-8-3-4-9(12)10(7-8)16(13,14)6-5-11/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 4-ethoxy-2-(2-fluoroethylsulfonyl)aniline?
4-ethoxy-2-(2-fluoroethylsulfonyl)aniline has a molecular weight of 247.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(2-fluoroethylsulfonyl)aniline is sourced from PubChem (CID 81176417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).