[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide

C14H20FNO4S — CID 65006250

IUPAC[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
SMILESCc1ccc(F)c(OCC2(CS(N)(=O)=O)CCOCC2)c1
InChIInChI=1S/C14H20FNO4S/c1-11-2-3-12(15)13(8-11)20-9-14(10-21(16,17)18)4-6-19-7-5-14/h2-3,8H,4-7,9-10H2,1H3,(H2,16,17,18)
InChIKeyBKMIJHHVFBXHMR-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.60
Rot. Bonds5

About [4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide

[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide (PubChem CID 65006250) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is [4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
PubChem CID65006250
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
SMILESCc1ccc(F)c(OCC2(CS(N)(=O)=O)CCOCC2)c1
InChIInChI=1S/C14H20FNO4S/c1-11-2-3-12(15)13(8-11)20-9-14(10-21(16,17)18)4-6-19-7-5-14/h2-3,8H,4-7,9-10H2,1H3,(H2,16,17,18)
InChIKeyBKMIJHHVFBXHMR-UHFFFAOYSA-N
XLogP1.60
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-chloro-4-fluorophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006045
[4-[(2,3-difluorophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006053
[4-[(2-bromo-4-chlorophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006488
[1-[(2-chloro-5-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002656
[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002702
[4-[(2-chloro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004623
[4-[(2,4-dibromophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006201
[4-[(4-chloro-3-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006047
[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006703
1-(bromomethyl)-1-[(2-fluoro-5-methylphenoxy)methyl]cycloheptane
CID 65010017
4-[(2-fluoro-4-methylphenoxy)methyl]oxan-4-ol
CID 90208688
[4-[(4-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004721

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide?
The IUPAC name of [4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide (CID 65006250) is [4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide.
What is the SMILES notation for [4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide?
The canonical SMILES for [4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide is Cc1ccc(F)c(OCC2(CS(N)(=O)=O)CCOCC2)c1.
What is the InChIKey of [4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide?
The InChIKey is BKMIJHHVFBXHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-11-2-3-12(15)13(8-11)20-9-14(10-21(16,17)18)4-6-19-7-5-14/h2-3,8H,4-7,9-10H2,1H3,(H2,16,17,18).
What are the key properties of [4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide?
[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide has a molecular weight of 317.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide is sourced from PubChem (CID 65006250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).