methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate

C15H20FNO6S — CID 53382589

IUPACmethyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1
InChIInChI=1S/C15H20FNO6S/c1-22-15(19)8-11-4-7-13(14(9-18)23-11)17-24(20,21)12-5-2-10(16)3-6-12/h2-3,5-6,11,13-14,17-18H,4,7-9H2,1H3/t11-,13+,14+/m0/s1
InChIKeyZKKMEBLDUWLYAY-IACUBPJLSA-N
MW361.39 g/mol
LogP0.58
Rot. Bonds6

About methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate

methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate (PubChem CID 53382589) has the molecular formula C15H20FNO6S and a molecular weight of 361.39 g/mol. Its IUPAC name is methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
PubChem CID53382589
Molecular FormulaC15H20FNO6S
Molecular Weight361.39 g/mol
Exact Mass361.10
IUPAC Namemethyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1
InChIInChI=1S/C15H20FNO6S/c1-22-15(19)8-11-4-7-13(14(9-18)23-11)17-24(20,21)12-5-2-10(16)3-6-12/h2-3,5-6,11,13-14,17-18H,4,7-9H2,1H3/t11-,13+,14+/m0/s1
InChIKeyZKKMEBLDUWLYAY-IACUBPJLSA-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,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate with MolForge

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Related Compounds

4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023443
2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
CID 53382571
methyl 2-[(2S,3S,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 53382585
methyl 2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]acetate
CID 53382592
methyl 2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
CID 53382614
N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
CID 54640227
3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide
CID 54640251
N-ethyl-2-[(2S,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54641626
N-[(2S,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-fluorobenzenesulfonamide
CID 54642098
N-[(2R,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-fluorobenzenesulfonamide
CID 54642099
2-[(3R,6aR,8S,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid
CID 54658876
2-[(3S,6aS,8S,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
CID 54659090

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate (CID 53382589) is methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate is COC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1.
What is the InChIKey of methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate?
The InChIKey is ZKKMEBLDUWLYAY-IACUBPJLSA-N. The full InChI is InChI=1S/C15H20FNO6S/c1-22-15(19)8-11-4-7-13(14(9-18)23-11)17-24(20,21)12-5-2-10(16)3-6-12/h2-3,5-6,11,13-14,17-18H,4,7-9H2,1H3/t11-,13+,14+/m0/s1.
What are the key properties of methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate?
methyl 2-[(2S,5R,6S)-5-[(4-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,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate is sourced from PubChem (CID 53382589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).