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

C17H16FNO2S — CID 3715757

IUPAC1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1cccc(F)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H16FNO2S/c18-16-7-4-8-17(13-16)22(20,21)19-11-9-15(10-12-19)14-5-2-1-3-6-14/h1-9,13H,10-12H2
InChIKeyMDBAHLMKUXJACQ-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.30
Rot. Bonds3

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

1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 3715757) has the molecular formula C17H16FNO2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID3715757
Molecular FormulaC17H16FNO2S
Molecular Weight317.38 g/mol
Exact Mass317.09
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1cccc(F)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H16FNO2S/c18-16-7-4-8-17(13-16)22(20,21)19-11-9-15(10-12-19)14-5-2-1-3-6-14/h1-9,13H,10-12H2
InChIKeyMDBAHLMKUXJACQ-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 ≤ 500317.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927
3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161189
1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3819741
methyl 2-[[5-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 175228735
1-[4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]sulfonylazepane
CID 1168486
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3643766
7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one
CID 6624112
N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 35327619
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
3-(benzenesulfonyl)-7-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 53164994
1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-amine
CID 123166621
4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine
CID 102691824

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (CID 3715757) is 1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is O=S(=O)(c1cccc(F)c1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is MDBAHLMKUXJACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c18-16-7-4-8-17(13-16)22(20,21)19-11-9-15(10-12-19)14-5-2-1-3-6-14/h1-9,13H,10-12H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 317.38 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-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3715757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).