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

C18H18FNO2S — CID 2738346

IUPAC1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1F
InChIInChI=1S/C18H18FNO2S/c1-14-7-8-17(13-18(14)19)23(21,22)20-11-9-16(10-12-20)15-5-3-2-4-6-15/h2-9,13H,10-12H2,1H3
InChIKeyNLPSIBIGCGHVDC-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.61
Rot. Bonds3

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

1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 2738346) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID2738346
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1F
InChIInChI=1S/C18H18FNO2S/c1-14-7-8-17(13-18(14)19)23(21,22)20-11-9-16(10-12-20)15-5-3-2-4-6-15/h2-9,13H,10-12H2,1H3
InChIKeyNLPSIBIGCGHVDC-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (CID 2738346) is 1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is NLPSIBIGCGHVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c1-14-7-8-17(13-18(14)19)23(21,22)20-11-9-16(10-12-20)15-5-3-2-4-6-15/h2-9,13H,10-12H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 331.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 2738346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).