5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide

C13H15FN2O3S — CID 81364945

IUPAC5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
SMILESC[C@H](NCc1ccc(S(N)(=O)=O)o1)c1cccc(F)c1
InChIInChI=1S/C13H15FN2O3S/c1-9(10-3-2-4-11(14)7-10)16-8-12-5-6-13(19-12)20(15,17)18/h2-7,9,16H,8H2,1H3,(H2,15,17,18)/t9-/m0/s1
InChIKeyWPTPMJJRCOVIIR-VIFPVBQESA-N
MW298.34 g/mol
LogP1.92
Rot. Bonds5

About 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide

5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide (PubChem CID 81364945) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
PubChem CID81364945
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
SMILESC[C@H](NCc1ccc(S(N)(=O)=O)o1)c1cccc(F)c1
InChIInChI=1S/C13H15FN2O3S/c1-9(10-3-2-4-11(14)7-10)16-8-12-5-6-13(19-12)20(15,17)18/h2-7,9,16H,8H2,1H3,(H2,15,17,18)/t9-/m0/s1
InChIKeyWPTPMJJRCOVIIR-VIFPVBQESA-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-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81351138
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81369614
N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
CID 81351573
5-[(2-bromo-5-fluoroanilino)methyl]furan-2-sulfonamide
CID 107633329
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103258761
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide (CID 81364945) is 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide is C[C@H](NCc1ccc(S(N)(=O)=O)o1)c1cccc(F)c1.
What is the InChIKey of 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide?
The InChIKey is WPTPMJJRCOVIIR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-9(10-3-2-4-11(14)7-10)16-8-12-5-6-13(19-12)20(15,17)18/h2-7,9,16H,8H2,1H3,(H2,15,17,18)/t9-/m0/s1.
What are the key properties of 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide?
5-[[[(1S)-1-(3-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-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 81364945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).