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

C13H19NO7S — CID 72836881

IUPACN-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide
SMILESCOC1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C13H19NO7S/c1-20-13-12(17)11(16)10(15)9(21-13)7-14-22(18,19)8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10-,11?,12+,13?/m1/s1
InChIKeyIQWBBVXNZYXXDX-SRMYXAEUSA-N
MW333.36 g/mol
LogP-1.58
Rot. Bonds5

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

N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide (PubChem CID 72836881) has the molecular formula C13H19NO7S and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide
PubChem CID72836881
Molecular FormulaC13H19NO7S
Molecular Weight333.36 g/mol
Exact Mass333.09
IUPAC NameN-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide
SMILESCOC1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C13H19NO7S/c1-20-13-12(17)11(16)10(15)9(21-13)7-14-22(18,19)8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10-,11?,12+,13?/m1/s1
InChIKeyIQWBBVXNZYXXDX-SRMYXAEUSA-N
XLogP-1.58
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]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-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide (CID 72836881) is N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide is COC1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide?
The InChIKey is IQWBBVXNZYXXDX-SRMYXAEUSA-N. The full InChI is InChI=1S/C13H19NO7S/c1-20-13-12(17)11(16)10(15)9(21-13)7-14-22(18,19)8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10-,11?,12+,13?/m1/s1.
What are the key properties of N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide?
N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide has a molecular weight of 333.36 g/mol, XLogP of -1.58, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 72836881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).