N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide

C47H47NO7S — CID 11104694

IUPACN-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)[C@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C47H47NO7S/c49-56(50,42-29-17-6-18-30-42)48(31-37-19-7-1-8-20-37)44-46(53-34-40-25-13-4-14-26-40)45(52-33-39-23-11-3-12-24-39)43(36-51-32-38-21-9-2-10-22-38)55-47(44)54-35-41-27-15-5-16-28-41/h1-30,43-47H,31-36H2/t43-,44-,45-,46-,47+/m1/s1
InChIKeyWFVQNYDYYBZGJF-JHPAFTAUSA-N
MW769.96 g/mol
LogP8.58
Rot. Bonds18

About N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide

N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide (PubChem CID 11104694) has the molecular formula C47H47NO7S and a molecular weight of 769.96 g/mol. Its IUPAC name is N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
PubChem CID11104694
Molecular FormulaC47H47NO7S
Molecular Weight769.96 g/mol
Exact Mass769.31
IUPAC NameN-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)[C@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C47H47NO7S/c49-56(50,42-29-17-6-18-30-42)48(31-37-19-7-1-8-20-37)44-46(53-34-40-25-13-4-14-26-40)45(52-33-39-23-11-3-12-24-39)43(36-51-32-38-21-9-2-10-22-38)55-47(44)54-35-41-27-15-5-16-28-41/h1-30,43-47H,31-36H2/t43-,44-,45-,46-,47+/m1/s1
InChIKeyWFVQNYDYYBZGJF-JHPAFTAUSA-N
XLogP8.58
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.96
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide (CID 11104694) is N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1)[C@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The InChIKey is WFVQNYDYYBZGJF-JHPAFTAUSA-N. The full InChI is InChI=1S/C47H47NO7S/c49-56(50,42-29-17-6-18-30-42)48(31-37-19-7-1-8-20-37)44-46(53-34-40-25-13-4-14-26-40)45(52-33-39-23-11-3-12-24-39)43(36-51-32-38-21-9-2-10-22-38)55-47(44)54-35-41-27-15-5-16-28-41/h1-30,43-47H,31-36H2/t43-,44-,45-,46-,47+/m1/s1.
What are the key properties of N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide has a molecular weight of 769.96 g/mol, XLogP of 8.58, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide is sourced from PubChem (CID 11104694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).