2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide

C19H15F3N2O3S — CID 11560547

IUPAC2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCc2ccc(F)cc2)n1)c1cc(F)ccc1F
InChIInChI=1S/C19H15F3N2O3S/c20-14-6-4-13(5-7-14)11-27-12-16-2-1-3-19(23-16)24-28(25,26)18-10-15(21)8-9-17(18)22/h1-10H,11-12H2,(H,23,24)
InChIKeyHZBKBOIMFVRTFQ-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.02
Rot. Bonds7

About 2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide

2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 11560547) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide
PubChem CID11560547
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCc2ccc(F)cc2)n1)c1cc(F)ccc1F
InChIInChI=1S/C19H15F3N2O3S/c20-14-6-4-13(5-7-14)11-27-12-16-2-1-3-19(23-16)24-28(25,26)18-10-15(21)8-9-17(18)22/h1-10H,11-12H2,(H,23,24)
InChIKeyHZBKBOIMFVRTFQ-UHFFFAOYSA-N
XLogP4.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide (CID 11560547) is 2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cccc(COCc2ccc(F)cc2)n1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is HZBKBOIMFVRTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c20-14-6-4-13(5-7-14)11-27-12-16-2-1-3-19(23-16)24-28(25,26)18-10-15(21)8-9-17(18)22/h1-10H,11-12H2,(H,23,24).
What are the key properties of 2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide?
2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 408.40 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 11560547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).