2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide

C13H14FNO3S — CID 47171557

IUPAC2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H14FNO3S/c1-10(9-11-5-4-8-18-11)15-19(16,17)13-7-3-2-6-12(13)14/h2-8,10,15H,9H2,1H3
InChIKeyWUWSLZHMZLTBEH-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.33
Rot. Bonds5

About 2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide

2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide (PubChem CID 47171557) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
PubChem CID47171557
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC Name2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H14FNO3S/c1-10(9-11-5-4-8-18-11)15-19(16,17)13-7-3-2-6-12(13)14/h2-8,10,15H,9H2,1H3
InChIKeyWUWSLZHMZLTBEH-UHFFFAOYSA-N
XLogP2.33
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide (CID 47171557) is 2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide is CC(Cc1ccco1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is WUWSLZHMZLTBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c1-10(9-11-5-4-8-18-11)15-19(16,17)13-7-3-2-6-12(13)14/h2-8,10,15H,9H2,1H3.
What are the key properties of 2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide?
2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 283.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 47171557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).