1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide

C14H16FNO4S — CID 110315838

IUPAC1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NOCCCc1ccco1
InChIInChI=1S/C14H16FNO4S/c15-13-7-5-12(6-8-13)11-21(17,18)16-20-10-2-4-14-3-1-9-19-14/h1,3,5-9,16H,2,4,10-11H2
InChIKeyVOVLLDSTIOGZIQ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.40
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide

1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide (PubChem CID 110315838) has the molecular formula C14H16FNO4S and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide
PubChem CID110315838
Molecular FormulaC14H16FNO4S
Molecular Weight313.35 g/mol
Exact Mass313.08
IUPAC Name1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NOCCCc1ccco1
InChIInChI=1S/C14H16FNO4S/c15-13-7-5-12(6-8-13)11-21(17,18)16-20-10-2-4-14-3-1-9-19-14/h1,3,5-9,16H,2,4,10-11H2
InChIKeyVOVLLDSTIOGZIQ-UHFFFAOYSA-N
XLogP2.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide
CID 34161180
N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide
CID 110315806
methyl N-[3-(furan-2-yl)propoxy]carbamate
CID 110315779
3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide
CID 16884354
N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide
CID 110315822
ethane;2-(3-methoxypropyl)furan
CID 144595726
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53281344
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 61079810
2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 29169744
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid
CID 91969457
1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
CID 61472657

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide (CID 110315838) is 1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NOCCCc1ccco1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide?
The InChIKey is VOVLLDSTIOGZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S/c15-13-7-5-12(6-8-13)11-21(17,18)16-20-10-2-4-14-3-1-9-19-14/h1,3,5-9,16H,2,4,10-11H2.
What are the key properties of 1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide?
1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide has a molecular weight of 313.35 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide is sourced from PubChem (CID 110315838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).