3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide

C16H14FNO5S — CID 121019193

IUPAC3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(-c3ccco3)o2)cc1F
InChIInChI=1S/C16H14FNO5S/c1-21-14-7-5-12(9-13(14)17)24(19,20)18-10-11-4-6-16(23-11)15-3-2-8-22-15/h2-9,18H,10H2,1H3
InChIKeyVYFSYWRVLMIOHS-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.17
Rot. Bonds6

About 3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide

3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 121019193) has the molecular formula C16H14FNO5S and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID121019193
Molecular FormulaC16H14FNO5S
Molecular Weight351.36 g/mol
Exact Mass351.06
IUPAC Name3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(-c3ccco3)o2)cc1F
InChIInChI=1S/C16H14FNO5S/c1-21-14-7-5-12(9-13(14)17)24(19,20)18-10-11-4-6-16(23-11)15-3-2-8-22-15/h2-9,18H,10H2,1H3
InChIKeyVYFSYWRVLMIOHS-UHFFFAOYSA-N
XLogP3.17
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide (CID 121019193) is 3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(-c3ccco3)o2)cc1F.
What is the InChIKey of 3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is VYFSYWRVLMIOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO5S/c1-21-14-7-5-12(9-13(14)17)24(19,20)18-10-11-4-6-16(23-11)15-3-2-8-22-15/h2-9,18H,10H2,1H3.
What are the key properties of 3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide?
3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 351.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[5-(furan-2-yl)furan-2-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 121019193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).