2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide

C13H14FNO4S — CID 71782615

IUPAC2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C13H14FNO4S/c1-13(16,12-7-4-8-19-12)9-15-20(17,18)11-6-3-2-5-10(11)14/h2-8,15-16H,9H2,1H3
InChIKeyWEHURUJCPYERPM-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.60
Rot. Bonds5

About 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide

2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 71782615) has the molecular formula C13H14FNO4S and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
PubChem CID71782615
Molecular FormulaC13H14FNO4S
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C13H14FNO4S/c1-13(16,12-7-4-8-19-12)9-15-20(17,18)11-6-3-2-5-10(11)14/h2-8,15-16H,9H2,1H3
InChIKeyWEHURUJCPYERPM-UHFFFAOYSA-N
XLogP1.60
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]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 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide (CID 71782615) is 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide is CC(O)(CNS(=O)(=O)c1ccccc1F)c1ccco1.
What is the InChIKey of 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is WEHURUJCPYERPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4S/c1-13(16,12-7-4-8-19-12)9-15-20(17,18)11-6-3-2-5-10(11)14/h2-8,15-16H,9H2,1H3.
What are the key properties of 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 299.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 71782615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).