1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone

C20H16F3NO3S — CID 3707866

IUPAC1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)C1C=CN(S(=O)(=O)C(F)(F)F)C=C1
InChIInChI=1S/C20H16F3NO3S/c21-20(22,23)28(26,27)24-13-11-16(12-14-24)18(15-7-3-1-4-8-15)19(25)17-9-5-2-6-10-17/h1-14,16,18H
InChIKeyYQSWWOPWHKYKLA-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.46
Rot. Bonds5

About 1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone

1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone (PubChem CID 3707866) has the molecular formula C20H16F3NO3S and a molecular weight of 407.41 g/mol. Its IUPAC name is 1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone.

Molecular Properties

Compound Name1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone
PubChem CID3707866
Molecular FormulaC20H16F3NO3S
Molecular Weight407.41 g/mol
Exact Mass407.08
IUPAC Name1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)C1C=CN(S(=O)(=O)C(F)(F)F)C=C1
InChIInChI=1S/C20H16F3NO3S/c21-20(22,23)28(26,27)24-13-11-16(12-14-24)18(15-7-3-1-4-8-15)19(25)17-9-5-2-6-10-17/h1-14,16,18H
InChIKeyYQSWWOPWHKYKLA-UHFFFAOYSA-N
XLogP4.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-phenyl-1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]butan-2-one
CID 3733260
phenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-3-yl]methanone
CID 162419048
1-(4-Fluorophenyl)-2-[4-(4-fluorophenyl)piperidin-1-yl]sulfonylethanone
CID 85928975
N,N-dimethyl-2-sulfonylethenamine;1-[3-(trifluoromethyl)phenyl]ethanone
CID 88612939
N-[5-(4-cyclohexylbenzoyl)-6,6-dimethylheptyl]-1,1,1-trifluoro-N-propylmethanesulfonamide
CID 123298116
2-methylbutane;1-methyl-4-(4-methylcyclohexyl)-2H-pyridine;1-[4-(1,1,1-trifluoropropan-2-yl)phenyl]ethanone
CID 143379551
1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]-3,4-dihydro-1H-naphthalen-2-one
CID 3554118
1-(4-bromophenyl)-2-phenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone
CID 4202796
(1-Benzylsulfonylpiperidin-4-yl)-(2,5-difluorophenyl)methanone
CID 47065056
Phenyl-[1-[[3-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-4-yl]methanone
CID 56373313
[(2R,3S)-1-methylsulfonyl-3-phenyl-2,3-dihydropyrrol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 102500471
(4-Fluorophenyl)-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methanone
CID 110394121

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone?
The IUPAC name of 1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone (CID 3707866) is 1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone.
What is the SMILES notation for 1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone?
The canonical SMILES for 1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone is O=C(c1ccccc1)C(c1ccccc1)C1C=CN(S(=O)(=O)C(F)(F)F)C=C1.
What is the InChIKey of 1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone?
The InChIKey is YQSWWOPWHKYKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3S/c21-20(22,23)28(26,27)24-13-11-16(12-14-24)18(15-7-3-1-4-8-15)19(25)17-9-5-2-6-10-17/h1-14,16,18H.
What are the key properties of 1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone?
1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone has a molecular weight of 407.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]ethanone is sourced from PubChem (CID 3707866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).