5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide

C20H18F2N2O3S — CID 11509639

IUPAC5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(COCc2ccc(F)cc2)n1
InChIInChI=1S/C20H18F2N2O3S/c1-14-5-8-17(22)11-19(14)28(25,26)24-20-4-2-3-18(23-20)13-27-12-15-6-9-16(21)10-7-15/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyAYTKOAAFWCNUOH-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.19
Rot. Bonds7

About 5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide

5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 11509639) has the molecular formula C20H18F2N2O3S and a molecular weight of 404.44 g/mol. Its IUPAC name is 5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID11509639
Molecular FormulaC20H18F2N2O3S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(COCc2ccc(F)cc2)n1
InChIInChI=1S/C20H18F2N2O3S/c1-14-5-8-17(22)11-19(14)28(25,26)24-20-4-2-3-18(23-20)13-27-12-15-6-9-16(21)10-7-15/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyAYTKOAAFWCNUOH-UHFFFAOYSA-N
XLogP4.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide (CID 11509639) is 5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(COCc2ccc(F)cc2)n1.
What is the InChIKey of 5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is AYTKOAAFWCNUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3S/c1-14-5-8-17(22)11-19(14)28(25,26)24-20-4-2-3-18(23-20)13-27-12-15-6-9-16(21)10-7-15/h2-11H,12-13H2,1H3,(H,23,24).
What are the key properties of 5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 404.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11509639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).