4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide

C12H12FNO4S — CID 8721911

IUPAC4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccco2)ccc1F
InChIInChI=1S/C12H12FNO4S/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h2-7,14H,8H2,1H3
InChIKeyDEGRZVAPQCETLZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.91
Rot. Bonds5

About 4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide

4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide (PubChem CID 8721911) has the molecular formula C12H12FNO4S and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide
PubChem CID8721911
Molecular FormulaC12H12FNO4S
Molecular Weight285.30 g/mol
Exact Mass285.05
IUPAC Name4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccco2)ccc1F
InChIInChI=1S/C12H12FNO4S/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h2-7,14H,8H2,1H3
InChIKeyDEGRZVAPQCETLZ-UHFFFAOYSA-N
XLogP1.91
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide (CID 8721911) is 4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCc2ccco2)ccc1F.
What is the InChIKey of 4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide?
The InChIKey is DEGRZVAPQCETLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4S/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h2-7,14H,8H2,1H3.
What are the key properties of 4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide?
4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide has a molecular weight of 285.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 8721911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).