N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide

C8H9F2NO5S — CID 106178314

IUPACN-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)NCC(F)(F)CO)o1
InChIInChI=1S/C8H9F2NO5S/c9-8(10,5-13)4-11-17(14,15)7-2-1-6(3-12)16-7/h1-3,11,13H,4-5H2
InChIKeySUYIPPJJSYOVOP-UHFFFAOYSA-N
MW269.23 g/mol
LogP-0.00
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide (PubChem CID 106178314) has the molecular formula C8H9F2NO5S and a molecular weight of 269.23 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide
PubChem CID106178314
Molecular FormulaC8H9F2NO5S
Molecular Weight269.23 g/mol
Exact Mass269.02
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)NCC(F)(F)CO)o1
InChIInChI=1S/C8H9F2NO5S/c9-8(10,5-13)4-11-17(14,15)7-2-1-6(3-12)16-7/h1-3,11,13H,4-5H2
InChIKeySUYIPPJJSYOVOP-UHFFFAOYSA-N
XLogP-0.00
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide (CID 106178314) is N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide is O=Cc1ccc(S(=O)(=O)NCC(F)(F)CO)o1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide?
The InChIKey is SUYIPPJJSYOVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO5S/c9-8(10,5-13)4-11-17(14,15)7-2-1-6(3-12)16-7/h1-3,11,13H,4-5H2.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide has a molecular weight of 269.23 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide is sourced from PubChem (CID 106178314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).