[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol

C11H14F2N2O4S — CID 81205843

IUPAC[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
SMILESNc1cc(F)c(S(=O)(=O)N2CCOC(CO)C2)c(F)c1
InChIInChI=1S/C11H14F2N2O4S/c12-9-3-7(14)4-10(13)11(9)20(17,18)15-1-2-19-8(5-15)6-16/h3-4,8,16H,1-2,5-6,14H2
InChIKeyDRQBTUHXEFOQTR-UHFFFAOYSA-N
MW308.31 g/mol
LogP-0.07
Rot. Bonds3

About [4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol

[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81205843) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is [4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID81205843
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
SMILESNc1cc(F)c(S(=O)(=O)N2CCOC(CO)C2)c(F)c1
InChIInChI=1S/C11H14F2N2O4S/c12-9-3-7(14)4-10(13)11(9)20(17,18)15-1-2-19-8(5-15)6-16/h3-4,8,16H,1-2,5-6,14H2
InChIKeyDRQBTUHXEFOQTR-UHFFFAOYSA-N
XLogP-0.07
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-(2-methylmorpholin-4-yl)sulfonylaniline
CID 54888968
[4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625967
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81206052
[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625968
[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81209194
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
CID 81219809
[4-(5-amino-2-chloro-4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81206350
[4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81213005
[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
CID 120712882
[4-[(3-amino-2-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 103306629
[4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanol
CID 82843048

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol (CID 81205843) is [4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol is Nc1cc(F)c(S(=O)(=O)N2CCOC(CO)C2)c(F)c1.
What is the InChIKey of [4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is DRQBTUHXEFOQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c12-9-3-7(14)4-10(13)11(9)20(17,18)15-1-2-19-8(5-15)6-16/h3-4,8,16H,1-2,5-6,14H2.
What are the key properties of [4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol?
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 308.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81205843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).