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

C17H15FN2O4S — CID 91630518

IUPAC3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)cc1F
InChIInChI=1S/C17H15FN2O4S/c1-23-16-5-4-13(10-14(16)18)25(21,22)20-11-12-6-7-19-15(9-12)17-3-2-8-24-17/h2-10,20H,11H2,1H3
InChIKeyOWGBXLOTRMYJEZ-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.97
Rot. Bonds6

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

3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 91630518) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide
PubChem CID91630518
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)cc1F
InChIInChI=1S/C17H15FN2O4S/c1-23-16-5-4-13(10-14(16)18)25(21,22)20-11-12-6-7-19-15(9-12)17-3-2-8-24-17/h2-10,20H,11H2,1H3
InChIKeyOWGBXLOTRMYJEZ-UHFFFAOYSA-N
XLogP2.97
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide (CID 91630518) is 3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)cc1F.
What is the InChIKey of 3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is OWGBXLOTRMYJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c1-23-16-5-4-13(10-14(16)18)25(21,22)20-11-12-6-7-19-15(9-12)17-3-2-8-24-17/h2-10,20H,11H2,1H3.
What are the key properties of 3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide?
3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 362.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 91630518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).