[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol

C13H18FNO4S — CID 79187593

IUPAC[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
SMILESCCC1CN(S(=O)(=O)c2ccc(CO)cc2F)CCO1
InChIInChI=1S/C13H18FNO4S/c1-2-11-8-15(5-6-19-11)20(17,18)13-4-3-10(9-16)7-12(13)14/h3-4,7,11,16H,2,5-6,8-9H2,1H3
InChIKeyCGNVGICKCHMURC-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.12
Rot. Bonds4

About [4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol

[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol (PubChem CID 79187593) has the molecular formula C13H18FNO4S and a molecular weight of 303.35 g/mol. Its IUPAC name is [4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
PubChem CID79187593
Molecular FormulaC13H18FNO4S
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
SMILESCCC1CN(S(=O)(=O)c2ccc(CO)cc2F)CCO1
InChIInChI=1S/C13H18FNO4S/c1-2-11-8-15(5-6-19-11)20(17,18)13-4-3-10(9-16)7-12(13)14/h3-4,7,11,16H,2,5-6,8-9H2,1H3
InChIKeyCGNVGICKCHMURC-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylmorpholin-4-yl)sulfonyl-4-fluorobenzoic acid
CID 43421826
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
[3-fluoro-4-(1,4-oxazepan-4-ylsulfonyl)phenyl]methanol
CID 79187528
[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
CID 79178793
[3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 105116842
[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 79187452
4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
CID 113242547
2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine
CID 166435443
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
CID 79935876
2-ethyl-4-(3-fluoro-4-nitrophenyl)sulfonylmorpholine
CID 82846633
[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187737
3-(2-ethylmorpholin-4-yl)sulfonyl-4-nitroaniline
CID 62146105

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol?
The IUPAC name of [4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol (CID 79187593) is [4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol?
The canonical SMILES for [4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol is CCC1CN(S(=O)(=O)c2ccc(CO)cc2F)CCO1.
What is the InChIKey of [4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol?
The InChIKey is CGNVGICKCHMURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-2-11-8-15(5-6-19-11)20(17,18)13-4-3-10(9-16)7-12(13)14/h3-4,7,11,16H,2,5-6,8-9H2,1H3.
What are the key properties of [4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol?
[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol has a molecular weight of 303.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol is sourced from PubChem (CID 79187593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).