1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C23H23F3N4O2S — CID 56676016

IUPAC1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESO=S(=O)(c1ccccc1)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1
InChIInChI=1S/C23H23F3N4O2S/c24-23(25,26)18-8-6-17(7-9-18)22(21-16-27-12-13-28-21)29-19-10-14-30(15-11-19)33(31,32)20-4-2-1-3-5-20/h1-9,12-13,16,19,22,29H,10-11,14-15H2
InChIKeyUVFJVTJCZDPIHA-UHFFFAOYSA-N
MW476.52 g/mol
LogP4.03
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 56676016) has the molecular formula C23H23F3N4O2S and a molecular weight of 476.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID56676016
Molecular FormulaC23H23F3N4O2S
Molecular Weight476.52 g/mol
Exact Mass476.15
IUPAC Name1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESO=S(=O)(c1ccccc1)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1
InChIInChI=1S/C23H23F3N4O2S/c24-23(25,26)18-8-6-17(7-9-18)22(21-16-27-12-13-28-21)29-19-10-14-30(15-11-19)33(31,32)20-4-2-1-3-5-20/h1-9,12-13,16,19,22,29H,10-11,14-15H2
InChIKeyUVFJVTJCZDPIHA-UHFFFAOYSA-N
XLogP4.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine 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

cyclopropyl-[4-[[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone;hydrochloride
CID 56672798
(3S)-N-[(1R)-1-pyrazin-2-ylethyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 97232131
1-(benzenesulfonyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55721130
2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56665469
4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3855275
N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56661985
1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 56669299
1-(benzenesulfonyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]piperidin-4-amine
CID 95119925
[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 27509869
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 71781207
1-(3-chlorothiophen-2-yl)sulfonyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine
CID 90691140

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 56676016) is 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is O=S(=O)(c1ccccc1)N1CCC(NC(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is UVFJVTJCZDPIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2S/c24-23(25,26)18-8-6-17(7-9-18)22(21-16-27-12-13-28-21)29-19-10-14-30(15-11-19)33(31,32)20-4-2-1-3-5-20/h1-9,12-13,16,19,22,29H,10-11,14-15H2.
What are the key properties of 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 476.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 56676016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).