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

C15H21NO6S — CID 53382558

IUPACmethyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C15H21NO6S/c1-21-15(18)9-11-7-8-13(14(10-17)22-11)16-23(19,20)12-5-3-2-4-6-12/h2-6,11,13-14,16-17H,7-10H2,1H3/t11-,13-,14-/m1/s1
InChIKeyBNFUKZRPPNMXAS-MRVWCRGKSA-N
MW343.40 g/mol
LogP0.44
Rot. Bonds6

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

methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate (PubChem CID 53382558) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate
PubChem CID53382558
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Namemethyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C15H21NO6S/c1-21-15(18)9-11-7-8-13(14(10-17)22-11)16-23(19,20)12-5-3-2-4-6-12/h2-6,11,13-14,16-17H,7-10H2,1H3/t11-,13-,14-/m1/s1
InChIKeyBNFUKZRPPNMXAS-MRVWCRGKSA-N
XLogP0.44
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023386
2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
CID 53382571
methyl 2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
CID 53382589
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-ethyl-2-[(2S,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54641626
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
methyl 2-[(2S,3R,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 53382574
N-ethyl-2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 53382672
2-[(2S,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
CID 54638755
2-[(2R,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
CID 54638756
methyl 2-[(2R,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
CID 54638757

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate (CID 53382558) is methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate is COC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1.
What is the InChIKey of methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate?
The InChIKey is BNFUKZRPPNMXAS-MRVWCRGKSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-21-15(18)9-11-7-8-13(14(10-17)22-11)16-23(19,20)12-5-3-2-4-6-12/h2-6,11,13-14,16-17H,7-10H2,1H3/t11-,13-,14-/m1/s1.
What are the key properties of methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate?
methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate has a molecular weight of 343.40 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]acetate is sourced from PubChem (CID 53382558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).