N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide

C18H19F3N4O3S — CID 2740568

IUPACN-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1
InChIInChI=1S/C18H19F3N4O3S/c1-13(26)23-15-2-4-16(5-3-15)29(27,28)25-10-8-24(9-11-25)17-12-14(6-7-22-17)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKeyOECKKKKSZMMKNP-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.57
Rot. Bonds4

About N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2740568) has the molecular formula C18H19F3N4O3S and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID2740568
Molecular FormulaC18H19F3N4O3S
Molecular Weight428.44 g/mol
Exact Mass428.11
IUPAC NameN-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1
InChIInChI=1S/C18H19F3N4O3S/c1-13(26)23-15-2-4-16(5-3-15)29(27,28)25-10-8-24(9-11-25)17-12-14(6-7-22-17)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKeyOECKKKKSZMMKNP-UHFFFAOYSA-N
XLogP2.57
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide 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

Acetylsulfapyridine
CID 58638
Urea deriv. 20
CID 5329826
4-((4-(((1R,2R)-2-(dimethylamino)cyclopentyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-N-methylbenzenesulfonamide
CID 25920890
N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
A-784168
CID 11420211
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
Arylsulfonylpiperazine, 7
CID 44237015
Arylsulfonylpiperazine, 8
CID 44237016
Arylsulfonylpiperazine, 11
CID 44237018

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 2740568) is N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1.
What is the InChIKey of N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is OECKKKKSZMMKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3S/c1-13(26)23-15-2-4-16(5-3-15)29(27,28)25-10-8-24(9-11-25)17-12-14(6-7-22-17)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,23,26).
What are the key properties of N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 428.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2740568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).