1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

C17H16FNO2S — CID 2738345

IUPAC1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H16FNO2S/c18-16-6-8-17(9-7-16)22(20,21)19-12-10-15(11-13-19)14-4-2-1-3-5-14/h1-10H,11-13H2
InChIKeyDIPUODVHUCTHAA-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 2738345) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID2738345
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H16FNO2S/c18-16-6-8-17(9-7-16)22(20,21)19-12-10-15(11-13-19)14-4-2-1-3-5-14/h1-10H,11-13H2
InChIKeyDIPUODVHUCTHAA-UHFFFAOYSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (CID 2738345) is 1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is O=S(=O)(c1ccc(F)cc1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is DIPUODVHUCTHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c18-16-6-8-17(9-7-16)22(20,21)19-12-10-15(11-13-19)14-4-2-1-3-5-14/h1-10H,11-13H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 317.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 2738345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).