(2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone

C19H17F5N2O3S — CID 133283279

IUPAC(2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(Nc2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C19H17F5N2O3S/c20-12-5-6-16(17(11-12)30(28,29)19(22,23)24)25-13-7-9-26(10-8-13)18(27)14-3-1-2-4-15(14)21/h1-6,11,13,25H,7-10H2
InChIKeyLLOZZQAQZGRIDL-UHFFFAOYSA-N
MW448.41 g/mol
LogP3.97
Rot. Bonds4

About (2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone (PubChem CID 133283279) has the molecular formula C19H17F5N2O3S and a molecular weight of 448.41 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
PubChem CID133283279
Molecular FormulaC19H17F5N2O3S
Molecular Weight448.41 g/mol
Exact Mass448.09
IUPAC Name(2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(Nc2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C19H17F5N2O3S/c20-12-5-6-16(17(11-12)30(28,29)19(22,23)24)25-13-7-9-26(10-8-13)18(27)14-3-1-2-4-15(14)21/h1-6,11,13,25H,7-10H2
InChIKeyLLOZZQAQZGRIDL-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
CID 49430103
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 55702827
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563627
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 112843501
N-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]oxan-3-amine
CID 63363472
(2-fluorophenyl)-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]piperidin-1-yl]methanone
CID 133316892
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998532
4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 166220491
N-[1-(2-cyclobutyloxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 86971710

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone (CID 133283279) is (2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCC(Nc2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone?
The InChIKey is LLOZZQAQZGRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N2O3S/c20-12-5-6-16(17(11-12)30(28,29)19(22,23)24)25-13-7-9-26(10-8-13)18(27)14-3-1-2-4-15(14)21/h1-6,11,13,25H,7-10H2.
What are the key properties of (2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone has a molecular weight of 448.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone is sourced from PubChem (CID 133283279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).