2-[(2-fluorophenyl)sulfonylmethyl]oxane

C12H15FO3S — CID 64716675

IUPAC2-[(2-fluorophenyl)sulfonylmethyl]oxane
SMILESO=S(=O)(CC1CCCCO1)c1ccccc1F
InChIInChI=1S/C12H15FO3S/c13-11-6-1-2-7-12(11)17(14,15)9-10-5-3-4-8-16-10/h1-2,6-7,10H,3-5,8-9H2
InChIKeyOQNZVLDFVUNYMG-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.17
Rot. Bonds3

About 2-[(2-fluorophenyl)sulfonylmethyl]oxane

2-[(2-fluorophenyl)sulfonylmethyl]oxane (PubChem CID 64716675) has the molecular formula C12H15FO3S and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylmethyl]oxane.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylmethyl]oxane
PubChem CID64716675
Molecular FormulaC12H15FO3S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name2-[(2-fluorophenyl)sulfonylmethyl]oxane
SMILESO=S(=O)(CC1CCCCO1)c1ccccc1F
InChIInChI=1S/C12H15FO3S/c13-11-6-1-2-7-12(11)17(14,15)9-10-5-3-4-8-16-10/h1-2,6-7,10H,3-5,8-9H2
InChIKeyOQNZVLDFVUNYMG-UHFFFAOYSA-N
XLogP2.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(oxolan-2-ylmethylsulfonyl)benzoic acid
CID 79186943
2-methyl-6-(oxan-2-ylmethylsulfonyl)aniline
CID 81188241
2-methyl-3-(oxan-2-ylmethylsulfonyl)aniline
CID 81190309
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
2-[(2-fluorophenyl)methyl]oxane
CID 20724373
4-[(2-fluorophenyl)sulfonylmethyl]oxane;4-(iodomethyl)oxane
CID 159028930
2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121017030
2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
CID 79417997
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
2-[(3,4-dimethylphenyl)sulfonylmethyl]oxane
CID 71979163
1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952955
N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 124615175

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylmethyl]oxane?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylmethyl]oxane (CID 64716675) is 2-[(2-fluorophenyl)sulfonylmethyl]oxane.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylmethyl]oxane?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylmethyl]oxane is O=S(=O)(CC1CCCCO1)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylmethyl]oxane?
The InChIKey is OQNZVLDFVUNYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3S/c13-11-6-1-2-7-12(11)17(14,15)9-10-5-3-4-8-16-10/h1-2,6-7,10H,3-5,8-9H2.
What are the key properties of 2-[(2-fluorophenyl)sulfonylmethyl]oxane?
2-[(2-fluorophenyl)sulfonylmethyl]oxane has a molecular weight of 258.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylmethyl]oxane is sourced from PubChem (CID 64716675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).