N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C18H18F3N3O3S — CID 25161624

IUPACN-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H18F3N3O3S/c19-18(20,21)14-2-1-3-16(12-14)28(26,27)24-10-6-13(7-11-24)17(25)23-15-4-8-22-9-5-15/h1-5,8-9,12-13H,6-7,10-11H2,(H,22,23,25)
InChIKeyGPROTOOQVVXZJQ-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.14
Rot. Bonds4

About N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 25161624) has the molecular formula C18H18F3N3O3S and a molecular weight of 413.42 g/mol. Its IUPAC name is N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID25161624
Molecular FormulaC18H18F3N3O3S
Molecular Weight413.42 g/mol
Exact Mass413.10
IUPAC NameN-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H18F3N3O3S/c19-18(20,21)14-2-1-3-16(12-14)28(26,27)24-10-6-13(7-11-24)17(25)23-15-4-8-22-9-5-15/h1-5,8-9,12-13H,6-7,10-11H2,(H,22,23,25)
InChIKeyGPROTOOQVVXZJQ-UHFFFAOYSA-N
XLogP3.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
Sulfonamide deriv., 7h
CID 44520904
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
N-[4-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1088545
1-[4-(Pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperidine-4-carboxamide
CID 66610946
(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
CID 134189929
Gallosemide
CID 68690
N-[4-(Piperidine-1-sulfonyl)-phenyl]-isonicotinamide
CID 655317
2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-4-ylacetamide
CID 925202
4-{[(3-fluorophenyl)sulfonyl]amino}-N-(4-pyridinyl)benzamide
CID 984611

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 25161624) is N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is GPROTOOQVVXZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3S/c19-18(20,21)14-2-1-3-16(12-14)28(26,27)24-10-6-13(7-11-24)17(25)23-15-4-8-22-9-5-15/h1-5,8-9,12-13H,6-7,10-11H2,(H,22,23,25).
What are the key properties of N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 413.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25161624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).