(Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol

C16H16FNO3S — CID 142174465

IUPAC(Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol
SMILESCN/C(=C(\O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3S/c1-18-15(11-3-7-13(17)8-4-11)16(19)12-5-9-14(10-6-12)22(2,20)21/h3-10,18-19H,1-2H3/b16-15-
InChIKeyUQOXDSIYBTVREN-NXVVXOECSA-N
MW321.37 g/mol
LogP2.83
Rot. Bonds4

About (Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol

(Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol (PubChem CID 142174465) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is (Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol.

Molecular Properties

Compound Name(Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol
PubChem CID142174465
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name(Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol
SMILESCN/C(=C(\O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3S/c1-18-15(11-3-7-13(17)8-4-11)16(19)12-5-9-14(10-6-12)22(2,20)21/h3-10,18-19H,1-2H3/b16-15-
InChIKeyUQOXDSIYBTVREN-NXVVXOECSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-2-(benzhydrylamino)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 56834515
(1R,2R)-2-(benzylamino)-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 102410492
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,3-dihydro-1,3-oxazole
CID 60064222
(1R,2S)-2-(benzylamino)-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 102410493
(1S,2S)-3-fluoro-1-(4-methylsulfonylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 122652406
(1S,2S)-3-fluoro-1-(4-methylsulfonylphenyl)-2-[[(1S)-1-phenylethyl]amino]propan-1-ol
CID 122659372
(1S,2S)-3-fluoro-1-(4-methylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
CID 122659374
3-Fluoro-1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)propan-1-ol
CID 123646342
3-Fluoro-1-(4-methylsulfonylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 140863112
(1R,2S)-3-fluoro-1-(4-methylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
CID 141466489
(1R,2S)-3-fluoro-1-(4-methylsulfonylphenyl)-2-[[(1S)-1-phenylethyl]amino]propan-1-ol
CID 141466493
(Z)-2-(2,2-dimethylpropylideneamino)-2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)ethenol
CID 142820724

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol?
The IUPAC name of (Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol (CID 142174465) is (Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol.
What is the SMILES notation for (Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol?
The canonical SMILES for (Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol is CN/C(=C(\O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1.
What is the InChIKey of (Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol?
The InChIKey is UQOXDSIYBTVREN-NXVVXOECSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-18-15(11-3-7-13(17)8-4-11)16(19)12-5-9-14(10-6-12)22(2,20)21/h3-10,18-19H,1-2H3/b16-15-.
What are the key properties of (Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol?
(Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol has a molecular weight of 321.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol is sourced from PubChem (CID 142174465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).