3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide

C14H16FNO4S — CID 16884354

IUPAC3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C14H16FNO4S/c15-12-4-6-13(7-5-12)19-9-2-10-21(17,18)16-11-14-3-1-8-20-14/h1,3-8,16H,2,9-11H2
InChIKeyMFLXANVMPCAJQO-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.31
Rot. Bonds8

About 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide

3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide (PubChem CID 16884354) has the molecular formula C14H16FNO4S and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide
PubChem CID16884354
Molecular FormulaC14H16FNO4S
Molecular Weight313.35 g/mol
Exact Mass313.08
IUPAC Name3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C14H16FNO4S/c15-12-4-6-13(7-5-12)19-9-2-10-21(17,18)16-11-14-3-1-8-20-14/h1,3-8,16H,2,9-11H2
InChIKeyMFLXANVMPCAJQO-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide
CID 110345873
2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 29169744
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide
CID 16884247
2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan
CID 78761640
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide
CID 110315838
3-fluoro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345852
2-fluoro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345851
1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 54886109
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791464
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
CID 110345911

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide (CID 16884354) is 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide is O=S(=O)(CCCOc1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is MFLXANVMPCAJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S/c15-12-4-6-13(7-5-12)19-9-2-10-21(17,18)16-11-14-3-1-8-20-14/h1,3-8,16H,2,9-11H2.
What are the key properties of 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide?
3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide has a molecular weight of 313.35 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 16884354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).