[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol

C12H16FNO4S — CID 79187452

IUPAC[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
SMILESCC1COCCN1S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C12H16FNO4S/c1-9-8-18-5-4-14(9)19(16,17)12-3-2-10(7-15)6-11(12)13/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyJMHUJAUWPUZYQM-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.73
Rot. Bonds3

About [3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol

[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol (PubChem CID 79187452) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is [3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
PubChem CID79187452
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
SMILESCC1COCCN1S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C12H16FNO4S/c1-9-8-18-5-4-14(9)19(16,17)12-3-2-10(7-15)6-11(12)13/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyJMHUJAUWPUZYQM-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol
CID 79187805
[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187737
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79186814
[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol
CID 79187528
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187593
N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
CID 102920370
[5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 82891083
[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79186896
4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773826

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol?
The IUPAC name of [3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol (CID 79187452) is [3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol?
The canonical SMILES for [3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol is CC1COCCN1S(=O)(=O)c1ccc(CO)cc1F.
What is the InChIKey of [3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol?
The InChIKey is JMHUJAUWPUZYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-9-8-18-5-4-14(9)19(16,17)12-3-2-10(7-15)6-11(12)13/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of [3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol?
[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol has a molecular weight of 289.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 79187452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).