1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide

C14H16FNO3S — CID 34161180

IUPAC1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide
SMILESC[C@@H](Cc1ccco1)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO3S/c1-11(9-14-3-2-8-19-14)16-20(17,18)10-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3/t11-/m0/s1
InChIKeyLCCZIWNYULCLJK-NSHDSACASA-N
MW297.35 g/mol
LogP2.47
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide

1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide (PubChem CID 34161180) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide
PubChem CID34161180
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide
SMILESC[C@@H](Cc1ccco1)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO3S/c1-11(9-14-3-2-8-19-14)16-20(17,18)10-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3/t11-/m0/s1
InChIKeyLCCZIWNYULCLJK-NSHDSACASA-N
XLogP2.47
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
CID 82854872
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide
CID 110315838
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 116528376
1-(3,5-difluorophenyl)-N-[1-(furan-3-yl)propan-2-yl]methanesulfonamide
CID 121127157
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
1-(3-fluorophenyl)-N-[(2R)-1-(furan-3-yl)propan-2-yl]methanesulfonamide
CID 99873201
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide (CID 34161180) is 1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide is C[C@@H](Cc1ccco1)NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide?
The InChIKey is LCCZIWNYULCLJK-NSHDSACASA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-11(9-14-3-2-8-19-14)16-20(17,18)10-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3/t11-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide has a molecular weight of 297.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 34161180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).