2-(2-methylmorpholin-4-yl)sulfonylphenol

C11H15NO4S — CID 81239969

IUPAC2-(2-methylmorpholin-4-yl)sulfonylphenol
SMILESCC1CN(S(=O)(=O)c2ccccc2O)CCO1
InChIInChI=1S/C11H15NO4S/c1-9-8-12(6-7-16-9)17(14,15)11-5-3-2-4-10(11)13/h2-5,9,13H,6-8H2,1H3
InChIKeyIQTWAUDOKNKGAE-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.80
Rot. Bonds2

About 2-(2-methylmorpholin-4-yl)sulfonylphenol

2-(2-methylmorpholin-4-yl)sulfonylphenol (PubChem CID 81239969) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)sulfonylphenol.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)sulfonylphenol
PubChem CID81239969
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(2-methylmorpholin-4-yl)sulfonylphenol
SMILESCC1CN(S(=O)(=O)c2ccccc2O)CCO1
InChIInChI=1S/C11H15NO4S/c1-9-8-12(6-7-16-9)17(14,15)11-5-3-2-4-10(11)13/h2-5,9,13H,6-8H2,1H3
InChIKeyIQTWAUDOKNKGAE-UHFFFAOYSA-N
XLogP0.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
CID 51294935
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-methylmorpholine
CID 46677358
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
3-(2-methylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62149023
5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43257108
4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 47257439
5-methyl-4-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 63327924
4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenol
CID 62968856
3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 104654399
N-methyl-1-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 60822203

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)sulfonylphenol?
The IUPAC name of 2-(2-methylmorpholin-4-yl)sulfonylphenol (CID 81239969) is 2-(2-methylmorpholin-4-yl)sulfonylphenol.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)sulfonylphenol?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)sulfonylphenol is CC1CN(S(=O)(=O)c2ccccc2O)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)sulfonylphenol?
The InChIKey is IQTWAUDOKNKGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-9-8-12(6-7-16-9)17(14,15)11-5-3-2-4-10(11)13/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 2-(2-methylmorpholin-4-yl)sulfonylphenol?
2-(2-methylmorpholin-4-yl)sulfonylphenol has a molecular weight of 257.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)sulfonylphenol is sourced from PubChem (CID 81239969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).