4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C20H15F5N2O3S — CID 68841186

IUPAC4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCc2cccc(F)c2)n1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C20H15F5N2O3S/c21-14-4-1-3-13(9-14)11-30-12-15-5-2-6-19(26-15)27-31(28,29)16-7-8-18(22)17(10-16)20(23,24)25/h1-10H,11-12H2,(H,26,27)
InChIKeyQVOMXYOLDNHMAH-UHFFFAOYSA-N
MW458.41 g/mol
LogP4.90
Rot. Bonds7

About 4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 68841186) has the molecular formula C20H15F5N2O3S and a molecular weight of 458.41 g/mol. Its IUPAC name is 4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID68841186
Molecular FormulaC20H15F5N2O3S
Molecular Weight458.41 g/mol
Exact Mass458.07
IUPAC Name4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCc2cccc(F)c2)n1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C20H15F5N2O3S/c21-14-4-1-3-13(9-14)11-30-12-15-5-2-6-19(26-15)27-31(28,29)16-7-8-18(22)17(10-16)20(23,24)25/h1-10H,11-12H2,(H,26,27)
InChIKeyQVOMXYOLDNHMAH-UHFFFAOYSA-N
XLogP4.90
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 68841186) is 4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(COCc2cccc(F)c2)n1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QVOMXYOLDNHMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N2O3S/c21-14-4-1-3-13(9-14)11-30-12-15-5-2-6-19(26-15)27-31(28,29)16-7-8-18(22)17(10-16)20(23,24)25/h1-10H,11-12H2,(H,26,27).
What are the key properties of 4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 458.41 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[(3-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 68841186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).