N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide

C26H27F3N4O3S — CID 69166772

IUPACN-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C26H27F3N4O3S/c1-32(2)24-11-9-20(17-30-24)25(34)33-14-12-21(13-15-33)31-37(35,36)23-10-8-19(16-22(23)26(27,28)29)18-6-4-3-5-7-18/h3-11,16-17,21,31H,12-15H2,1-2H3
InChIKeyJXRLXXBUCFUKNL-UHFFFAOYSA-N
MW532.59 g/mol
LogP4.42
Rot. Bonds6

About N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide

N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 69166772) has the molecular formula C26H27F3N4O3S and a molecular weight of 532.59 g/mol. Its IUPAC name is N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID69166772
Molecular FormulaC26H27F3N4O3S
Molecular Weight532.59 g/mol
Exact Mass532.18
IUPAC NameN-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C26H27F3N4O3S/c1-32(2)24-11-9-20(17-30-24)25(34)33-14-12-21(13-15-33)31-37(35,36)23-10-8-19(16-22(23)26(27,28)29)18-6-4-3-5-7-18/h3-11,16-17,21,31H,12-15H2,1-2H3
InChIKeyJXRLXXBUCFUKNL-UHFFFAOYSA-N
XLogP4.42
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 87719666
N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 69167156
N-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-4-(2-propoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 87719694
(5S)-N-tert-butyl-2-oxo-5-[4-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 69196628
N-[1-[(3R)-3-(2,2-dimethylpropanoyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 87719950
4-[[4-(2,6-dimethylphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154079643
4-bromo-N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 87719374
4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154281676
4-bromo-N-[1-(2-chloro-6-methylpyridine-4-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 87719992
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684
[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126888363
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide (CID 69166772) is N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide is CN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3C(F)(F)F)CC2)cn1.
What is the InChIKey of N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JXRLXXBUCFUKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O3S/c1-32(2)24-11-9-20(17-30-24)25(34)33-14-12-21(13-15-33)31-37(35,36)23-10-8-19(16-22(23)26(27,28)29)18-6-4-3-5-7-18/h3-11,16-17,21,31H,12-15H2,1-2H3.
What are the key properties of N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 532.59 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 69166772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).