(E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide

C15H21NO7S — CID 118581595

IUPAC(E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide
SMILESCOC1O[C@H](CNS(=O)(=O)/C=C/c2ccccc2)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H21NO7S/c1-22-15-14(19)13(18)12(17)11(23-15)9-16-24(20,21)8-7-10-5-3-2-4-6-10/h2-8,11-19H,9H2,1H3/b8-7+/t11-,12?,13-,14+,15?/m1/s1
InChIKeyFKIACGGVYAZLSF-IKNGLENRSA-N
MW359.40 g/mol
LogP-0.97
Rot. Bonds6

About (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide

(E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide (PubChem CID 118581595) has the molecular formula C15H21NO7S and a molecular weight of 359.40 g/mol. Its IUPAC name is (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide
PubChem CID118581595
Molecular FormulaC15H21NO7S
Molecular Weight359.40 g/mol
Exact Mass359.10
IUPAC Name(E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide
SMILESCOC1O[C@H](CNS(=O)(=O)/C=C/c2ccccc2)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H21NO7S/c1-22-15-14(19)13(18)12(17)11(23-15)9-16-24(20,21)8-7-10-5-3-2-4-6-10/h2-8,11-19H,9H2,1H3/b8-7+/t11-,12?,13-,14+,15?/m1/s1
InChIKeyFKIACGGVYAZLSF-IKNGLENRSA-N
XLogP-0.97
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide with MolForge

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Related Compounds

N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-3-methylbenzenesulfonamide
CID 16731622
N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-4-methylbenzenesulfonamide
CID 44579524
N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-2-methylbenzenesulfonamide
CID 44579576
2,4,6-trimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide
CID 71760917
N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide
CID 71768868
4-methyl-N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]benzenesulfonamide
CID 71770443
N-[(2S)-2-hydroxy-2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 127047415
MesNH(-2d)Glc3SH(b)-O-Bn
CID 145989350
N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide
CID 72836881
4-methyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide
CID 72836882
2,4,6-trimethyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide
CID 72836885
(E)-2-phenyl-N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide
CID 72836887

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide (CID 118581595) is (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide is COC1O[C@H](CNS(=O)(=O)/C=C/c2ccccc2)C(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide?
The InChIKey is FKIACGGVYAZLSF-IKNGLENRSA-N. The full InChI is InChI=1S/C15H21NO7S/c1-22-15-14(19)13(18)12(17)11(23-15)9-16-24(20,21)8-7-10-5-3-2-4-6-10/h2-8,11-19H,9H2,1H3/b8-7+/t11-,12?,13-,14+,15?/m1/s1.
What are the key properties of (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide?
(E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide has a molecular weight of 359.40 g/mol, XLogP of -0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-[[(2R,4R,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 118581595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).