2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol

C14H14FNO3S — CID 107685275

IUPAC2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol
SMILESCS(=O)(=O)c1ccc(NCc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C14H14FNO3S/c1-20(18,19)12-5-3-11(4-6-12)16-9-10-2-7-14(17)13(15)8-10/h2-8,16-17H,9H2,1H3
InChIKeyZKYGSERZALJZNL-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.55
Rot. Bonds4

About 2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol

2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol (PubChem CID 107685275) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol
PubChem CID107685275
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol
SMILESCS(=O)(=O)c1ccc(NCc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C14H14FNO3S/c1-20(18,19)12-5-3-11(4-6-12)16-9-10-2-7-14(17)13(15)8-10/h2-8,16-17H,9H2,1H3
InChIKeyZKYGSERZALJZNL-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol
CID 107685446
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
4-methyl-2-[(4-methylsulfonylanilino)methyl]phenol
CID 63323424
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 107685628
N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
N-[[3-(methoxymethyl)phenyl]methyl]-4-methylsulfonylaniline
CID 61004280
2-chloro-5-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoic acid
CID 107685555
N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylsulfonylaniline
CID 43426154
2-fluoro-4-[(3-fluoro-5-nitroanilino)methyl]phenol
CID 107686116

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol (CID 107685275) is 2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol is CS(=O)(=O)c1ccc(NCc2ccc(O)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol?
The InChIKey is ZKYGSERZALJZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-20(18,19)12-5-3-11(4-6-12)16-9-10-2-7-14(17)13(15)8-10/h2-8,16-17H,9H2,1H3.
What are the key properties of 2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol?
2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol has a molecular weight of 295.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol is sourced from PubChem (CID 107685275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).