3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine

C20H18FN2O2S- — CID 56989881

IUPAC3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine
SMILESO=S([O-])Nc1cc(CC(Cc2cccnc2)c2ccccc2)ccc1F
InChIInChI=1S/C20H19FN2O2S/c21-19-9-8-15(13-20(19)23-26(24)25)11-18(17-6-2-1-3-7-17)12-16-5-4-10-22-14-16/h1-10,13-14,18,23H,11-12H2,(H,24,25)/p-1
InChIKeyYWCPLTXFZDUCCD-UHFFFAOYSA-M
MW369.44 g/mol
LogP4.00
Rot. Bonds7

About 3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine

3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine (PubChem CID 56989881) has the molecular formula C20H18FN2O2S- and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine.

Molecular Properties

Compound Name3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine
PubChem CID56989881
Molecular FormulaC20H18FN2O2S-
Molecular Weight369.44 g/mol
Exact Mass369.11
IUPAC Name3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine
SMILESO=S([O-])Nc1cc(CC(Cc2cccnc2)c2ccccc2)ccc1F
InChIInChI=1S/C20H19FN2O2S/c21-19-9-8-15(13-20(19)23-26(24)25)11-18(17-6-2-1-3-7-17)12-16-5-4-10-22-14-16/h1-10,13-14,18,23H,11-12H2,(H,24,25)/p-1
InChIKeyYWCPLTXFZDUCCD-UHFFFAOYSA-M
XLogP4.00
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine?
The IUPAC name of 3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine (CID 56989881) is 3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine.
What is the SMILES notation for 3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine?
The canonical SMILES for 3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine is O=S([O-])Nc1cc(CC(Cc2cccnc2)c2ccccc2)ccc1F.
What is the InChIKey of 3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine?
The InChIKey is YWCPLTXFZDUCCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19FN2O2S/c21-19-9-8-15(13-20(19)23-26(24)25)11-18(17-6-2-1-3-7-17)12-16-5-4-10-22-14-16/h1-10,13-14,18,23H,11-12H2,(H,24,25)/p-1.
What are the key properties of 3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine?
3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine has a molecular weight of 369.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine is sourced from PubChem (CID 56989881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).