4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide

C18H15FN2O2S — CID 89134182

IUPAC4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide
SMILESC=C1C=CC(c2ccc(F)cc2)=CN1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H15FN2O2S/c1-13-2-3-15(14-4-6-16(19)7-5-14)12-21(13)17-8-10-18(11-9-17)24(20,22)23/h2-12H,1H2,(H2,20,22,23)
InChIKeyLTKWOHLWMUBEPW-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.40
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide

4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide (PubChem CID 89134182) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide
PubChem CID89134182
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide
SMILESC=C1C=CC(c2ccc(F)cc2)=CN1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H15FN2O2S/c1-13-2-3-15(14-4-6-16(19)7-5-14)12-21(13)17-8-10-18(11-9-17)24(20,22)23/h2-12H,1H2,(H2,20,22,23)
InChIKeyLTKWOHLWMUBEPW-UHFFFAOYSA-N
XLogP3.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide (CID 89134182) is 4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide is C=C1C=CC(c2ccc(F)cc2)=CN1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide?
The InChIKey is LTKWOHLWMUBEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-13-2-3-15(14-4-6-16(19)7-5-14)12-21(13)17-8-10-18(11-9-17)24(20,22)23/h2-12H,1H2,(H2,20,22,23).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide?
4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide has a molecular weight of 342.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 89134182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).