methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate

C15H20FNO6S — CID 54638758

IUPACmethyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1
InChIInChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12-,13-/m0/s1
InChIKeyOBZPPVVKYJWSJI-DRZSPHRISA-N
MW361.39 g/mol
LogP0.58
Rot. Bonds6

About methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate

methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate (PubChem CID 54638758) has the molecular formula C15H20FNO6S and a molecular weight of 361.39 g/mol. Its IUPAC name is methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
PubChem CID54638758
Molecular FormulaC15H20FNO6S
Molecular Weight361.39 g/mol
Exact Mass361.10
IUPAC Namemethyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1
InChIInChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12-,13-/m0/s1
InChIKeyOBZPPVVKYJWSJI-DRZSPHRISA-N
XLogP0.58
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate with MolForge

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Related Compounds

N-[(2R,3S,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxybenzenesulfonamide
CID 54643892
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-2-methoxybenzenesulfonamide
CID 54643898
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]-2-methoxybenzenesulfonamide
CID 54643111
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]-2-methoxybenzenesulfonamide
CID 54643108
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]-2-methoxybenzenesulfonamide
CID 54639432
N-[(2-fluorophenyl)methyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]acetamide
CID 54640319
2-fluoro-N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]benzenesulfonamide
CID 54640474
N-[(3-fluorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]oxan-2-yl]acetamide
CID 54639078
N-[2-[(2S,5R,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-fluorobenzamide
CID 54644441
methyl 2-[(2R,5S,6S)-6-(hydroxymethyl)-5-(propanoylamino)oxan-2-yl]acetate
CID 54639335
N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]-2-methylbenzenesulfonamide
CID 54638889
2-fluoro-N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide
CID 54639113

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate (CID 54638758) is methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate is COC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1.
What is the InChIKey of methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate?
The InChIKey is OBZPPVVKYJWSJI-DRZSPHRISA-N. The full InChI is InChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12-,13-/m0/s1.
What are the key properties of methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate?
methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate has a molecular weight of 361.39 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate is sourced from PubChem (CID 54638758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).