4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol

C15H16FNO3S — CID 107685446

IUPAC4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol
SMILESCCS(=O)(=O)c1ccc(NCc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C15H16FNO3S/c1-2-21(19,20)13-6-4-12(5-7-13)17-10-11-3-8-15(18)14(16)9-11/h3-9,17-18H,2,10H2,1H3
InChIKeyOSTUAQXADXSQQI-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.94
Rot. Bonds5

About 4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol

4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol (PubChem CID 107685446) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol
PubChem CID107685446
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol
SMILESCCS(=O)(=O)c1ccc(NCc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C15H16FNO3S/c1-2-21(19,20)13-6-4-12(5-7-13)17-10-11-3-8-15(18)14(16)9-11/h3-9,17-18H,2,10H2,1H3
InChIKeyOSTUAQXADXSQQI-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol
CID 107685275
N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
3-[(4-ethylsulfonylanilino)methyl]phenol
CID 43689674
2-fluoro-4-[(4-nitroanilino)methyl]phenol
CID 83325465
4-[(4-butan-2-ylanilino)methyl]-2-fluorophenol
CID 107685413
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
CID 107685847
N-[[3-(aminomethyl)phenyl]methyl]-4-ethylsulfonylaniline
CID 60871436
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 43234278
3-[(4-ethylsulfonylanilino)methyl]-N-methylbenzamide
CID 133312538
2-chloro-5-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoic acid
CID 107685555

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol?
The IUPAC name of 4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol (CID 107685446) is 4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol is CCS(=O)(=O)c1ccc(NCc2ccc(O)c(F)c2)cc1.
What is the InChIKey of 4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol?
The InChIKey is OSTUAQXADXSQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-2-21(19,20)13-6-4-12(5-7-13)17-10-11-3-8-15(18)14(16)9-11/h3-9,17-18H,2,10H2,1H3.
What are the key properties of 4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol?
4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol has a molecular weight of 309.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol is sourced from PubChem (CID 107685446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).