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

C19H16F2N2O3S — CID 11710850

IUPAC4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCc2ccc(F)cc2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H16F2N2O3S/c20-15-6-4-14(5-7-15)12-26-13-17-2-1-3-19(22-17)23-27(24,25)18-10-8-16(21)9-11-18/h1-11H,12-13H2,(H,22,23)
InChIKeyJBUGHZOPMQPHMF-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.88
Rot. Bonds7

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

4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 11710850) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide
PubChem CID11710850
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC Name4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(COCc2ccc(F)cc2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H16F2N2O3S/c20-15-6-4-14(5-7-15)12-26-13-17-2-1-3-19(22-17)23-27(24,25)18-10-8-16(21)9-11-18/h1-11H,12-13H2,(H,22,23)
InChIKeyJBUGHZOPMQPHMF-UHFFFAOYSA-N
XLogP3.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.88
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-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide (CID 11710850) is 4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cccc(COCc2ccc(F)cc2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is JBUGHZOPMQPHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c20-15-6-4-14(5-7-15)12-26-13-17-2-1-3-19(22-17)23-27(24,25)18-10-8-16(21)9-11-18/h1-11H,12-13H2,(H,22,23).
What are the key properties of 4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide?
4-fluoro-N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 390.41 g/mol, XLogP of 3.88, 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-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 11710850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).