2-(4-ethylphenyl)iminoethanesulfonyl fluoride

C10H12FNO2S — CID 54176539

IUPAC2-(4-ethylphenyl)iminoethanesulfonyl fluoride
SMILESCCc1ccc(/N=C/CS(=O)(=O)F)cc1
InChIInChI=1S/C10H12FNO2S/c1-2-9-3-5-10(6-4-9)12-7-8-15(11,13)14/h3-7H,2,8H2,1H3/b12-7+
InChIKeyOYUFEUDFTVYHOY-KPKJPENVSA-N
MW229.28 g/mol
LogP2.25
Rot. Bonds4

About 2-(4-ethylphenyl)iminoethanesulfonyl fluoride

2-(4-ethylphenyl)iminoethanesulfonyl fluoride (PubChem CID 54176539) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(4-ethylphenyl)iminoethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(4-ethylphenyl)iminoethanesulfonyl fluoride
PubChem CID54176539
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-(4-ethylphenyl)iminoethanesulfonyl fluoride
SMILESCCc1ccc(/N=C/CS(=O)(=O)F)cc1
InChIInChI=1S/C10H12FNO2S/c1-2-9-3-5-10(6-4-9)12-7-8-15(11,13)14/h3-7H,2,8H2,1H3/b12-7+
InChIKeyOYUFEUDFTVYHOY-KPKJPENVSA-N
XLogP2.25
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride
CID 88507578
1,4-diethylbenzene;oxoalumane
CID 174317758
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-ethyl-4-methylsulfonylbenzene
CID 143759723
[3-[(4-ethylphenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126220218
N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
4-[(4-ethylphenyl)iminomethyl]benzonitrile
CID 23167748
1,4-diethylbenzene;ethane;methane
CID 166131756
1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126216277
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)iminoethanesulfonyl fluoride?
The IUPAC name of 2-(4-ethylphenyl)iminoethanesulfonyl fluoride (CID 54176539) is 2-(4-ethylphenyl)iminoethanesulfonyl fluoride.
What is the SMILES notation for 2-(4-ethylphenyl)iminoethanesulfonyl fluoride?
The canonical SMILES for 2-(4-ethylphenyl)iminoethanesulfonyl fluoride is CCc1ccc(/N=C/CS(=O)(=O)F)cc1.
What is the InChIKey of 2-(4-ethylphenyl)iminoethanesulfonyl fluoride?
The InChIKey is OYUFEUDFTVYHOY-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-2-9-3-5-10(6-4-9)12-7-8-15(11,13)14/h3-7H,2,8H2,1H3/b12-7+.
What are the key properties of 2-(4-ethylphenyl)iminoethanesulfonyl fluoride?
2-(4-ethylphenyl)iminoethanesulfonyl fluoride has a molecular weight of 229.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)iminoethanesulfonyl fluoride is sourced from PubChem (CID 54176539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).