5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide

C13H15FN2O3S — CID 81351138

IUPAC5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
SMILESC[C@@H](NCc1ccc(S(N)(=O)=O)o1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3S/c1-9(10-2-4-11(14)5-3-10)16-8-12-6-7-13(19-12)20(15,17)18/h2-7,9,16H,8H2,1H3,(H2,15,17,18)/t9-/m1/s1
InChIKeyXFNUHLUCGGRFMO-SECBINFHSA-N
MW298.34 g/mol
LogP1.92
Rot. Bonds5

About 5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide

5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide (PubChem CID 81351138) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
PubChem CID81351138
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
SMILESC[C@@H](NCc1ccc(S(N)(=O)=O)o1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3S/c1-9(10-2-4-11(14)5-3-10)16-8-12-6-7-13(19-12)20(15,17)18/h2-7,9,16H,8H2,1H3,(H2,15,17,18)/t9-/m1/s1
InChIKeyXFNUHLUCGGRFMO-SECBINFHSA-N
XLogP1.92
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81364945
(1S)-1-(4-fluorophenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 81348306
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 81349730
5-[[1-(4-fluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651492
(1R)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-fluorophenyl)ethanamine
CID 81350621
N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
CID 81351573
1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43180811
5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide
CID 126824589
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide
CID 107633329
5-[(hex-1-yn-3-ylamino)methyl]furan-2-sulfonamide
CID 114160925
5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
CID 113484035

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide (CID 81351138) is 5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide is C[C@@H](NCc1ccc(S(N)(=O)=O)o1)c1ccc(F)cc1.
What is the InChIKey of 5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide?
The InChIKey is XFNUHLUCGGRFMO-SECBINFHSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-9(10-2-4-11(14)5-3-10)16-8-12-6-7-13(19-12)20(15,17)18/h2-7,9,16H,8H2,1H3,(H2,15,17,18)/t9-/m1/s1.
What are the key properties of 5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide?
5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 81351138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).