4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide

C12H15NO6S — CID 155531090

IUPAC4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1C=C[C@H](O)[C@@H](CO)O1)c1ccc(O)cc1
InChIInChI=1S/C12H15NO6S/c14-7-11-10(16)5-6-12(19-11)13-20(17,18)9-3-1-8(15)2-4-9/h1-6,10-16H,7H2/t10-,11+,12?/m0/s1
InChIKeyKAFRAVCUIRHYFC-WIKAKEFZSA-N
MW301.32 g/mol
LogP-0.70
Rot. Bonds4

About 4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide

4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide (PubChem CID 155531090) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide
PubChem CID155531090
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Name4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide
SMILESO=S(=O)(NC1C=C[C@H](O)[C@@H](CO)O1)c1ccc(O)cc1
InChIInChI=1S/C12H15NO6S/c14-7-11-10(16)5-6-12(19-11)13-20(17,18)9-3-1-8(15)2-4-9/h1-6,10-16H,7H2/t10-,11+,12?/m0/s1
InChIKeyKAFRAVCUIRHYFC-WIKAKEFZSA-N
XLogP-0.70
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide (CID 155531090) is 4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide is O=S(=O)(NC1C=C[C@H](O)[C@@H](CO)O1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide?
The InChIKey is KAFRAVCUIRHYFC-WIKAKEFZSA-N. The full InChI is InChI=1S/C12H15NO6S/c14-7-11-10(16)5-6-12(19-11)13-20(17,18)9-3-1-8(15)2-4-9/h1-6,10-16H,7H2/t10-,11+,12?/m0/s1.
What are the key properties of 4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide?
4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide has a molecular weight of 301.32 g/mol, XLogP of -0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide is sourced from PubChem (CID 155531090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).