N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide

C15H18FNO4S — CID 71862931

IUPACN-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C15H18FNO4S/c1-11(2)20-8-9-22(18,19)17-14-10-12(5-6-13(14)16)15-4-3-7-21-15/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyWZLXHQJIPDBHEI-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.25
Rot. Bonds7

About N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide

N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 71862931) has the molecular formula C15H18FNO4S and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID71862931
Molecular FormulaC15H18FNO4S
Molecular Weight327.38 g/mol
Exact Mass327.09
IUPAC NameN-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1cc(-c2ccco2)ccc1F
InChIInChI=1S/C15H18FNO4S/c1-11(2)20-8-9-22(18,19)17-14-10-12(5-6-13(14)16)15-4-3-7-21-15/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyWZLXHQJIPDBHEI-UHFFFAOYSA-N
XLogP3.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide (CID 71862931) is N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1cc(-c2ccco2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is WZLXHQJIPDBHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4S/c1-11(2)20-8-9-22(18,19)17-14-10-12(5-6-13(14)16)15-4-3-7-21-15/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide?
N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 327.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(furan-2-yl)phenyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 71862931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).