[4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C19H17F2NO3S — CID 38167129

IUPAC[4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H17F2NO3S/c20-19(21)26(24,25)17-8-6-16(7-9-17)18(23)22-12-10-15(11-13-22)14-4-2-1-3-5-14/h1-10,19H,11-13H2
InChIKeyOYIGFVGYNCHZHV-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.61
Rot. Bonds4

About [4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 38167129) has the molecular formula C19H17F2NO3S and a molecular weight of 377.41 g/mol. Its IUPAC name is [4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID38167129
Molecular FormulaC19H17F2NO3S
Molecular Weight377.41 g/mol
Exact Mass377.09
IUPAC Name[4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H17F2NO3S/c20-19(21)26(24,25)17-8-6-16(7-9-17)18(23)22-12-10-15(11-13-22)14-4-2-1-3-5-14/h1-10,19H,11-13H2
InChIKeyOYIGFVGYNCHZHV-UHFFFAOYSA-N
XLogP3.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167889
(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38295435
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 55350429
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889
N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
CID 47014257
[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 78768168
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877544
N-methoxy-N-methyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 38168338
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481
N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 17479375
(2-methylsulfanylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18106500

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 38167129) is [4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of [4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is OYIGFVGYNCHZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3S/c20-19(21)26(24,25)17-8-6-16(7-9-17)18(23)22-12-10-15(11-13-22)14-4-2-1-3-5-14/h1-10,19H,11-13H2.
What are the key properties of [4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 377.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 38167129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).