1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol

C11H16FNO4S — CID 117444120

IUPAC1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(F)cc(S(C)(=O)=O)c1OC
InChIInChI=1S/C11H16FNO4S/c1-13-6-9(14)8-4-7(12)5-10(11(8)17-2)18(3,15)16/h4-5,9,13-14H,6H2,1-3H3
InChIKeyJMTVJKDYKVCVAE-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.49
Rot. Bonds5

About 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol

1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol (PubChem CID 117444120) has the molecular formula C11H16FNO4S and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
PubChem CID117444120
Molecular FormulaC11H16FNO4S
Molecular Weight277.32 g/mol
Exact Mass277.08
IUPAC Name1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(F)cc(S(C)(=O)=O)c1OC
InChIInChI=1S/C11H16FNO4S/c1-13-6-9(14)8-4-7(12)5-10(11(8)17-2)18(3,15)16/h4-5,9,13-14H,6H2,1-3H3
InChIKeyJMTVJKDYKVCVAE-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol
CID 117410056
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
CID 84792671
2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol
CID 117412232
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359832
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117403462
2-amino-3-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117470379
1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117489126
3-[1-hydroxy-2-(methylamino)ethyl]-4,5-dimethoxybenzaldehyde
CID 117350635

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol (CID 117444120) is 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(F)cc(S(C)(=O)=O)c1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol?
The InChIKey is JMTVJKDYKVCVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO4S/c1-13-6-9(14)8-4-7(12)5-10(11(8)17-2)18(3,15)16/h4-5,9,13-14H,6H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol?
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol has a molecular weight of 277.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117444120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).