cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone

C22H25F3N2O3S — CID 24945068

IUPACcyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1C(F)(F)F
InChIInChI=1S/C22H25F3N2O3S/c23-22(24,25)20-15-26(13-14-27(20)21(28)17-8-2-1-3-9-17)31(29,30)19-12-6-10-16-7-4-5-11-18(16)19/h4-7,10-12,17,20H,1-3,8-9,13-15H2
InChIKeyVUPNCHYSPJAHKY-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.18
Rot. Bonds3

About cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone

cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone (PubChem CID 24945068) has the molecular formula C22H25F3N2O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone
PubChem CID24945068
Molecular FormulaC22H25F3N2O3S
Molecular Weight454.51 g/mol
Exact Mass454.15
IUPAC Namecyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1C(F)(F)F
InChIInChI=1S/C22H25F3N2O3S/c23-22(24,25)20-15-26(13-14-27(20)21(28)17-8-2-1-3-9-17)31(29,30)19-12-6-10-16-7-4-5-11-18(16)19/h4-7,10-12,17,20H,1-3,8-9,13-15H2
InChIKeyVUPNCHYSPJAHKY-UHFFFAOYSA-N
XLogP4.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone (CID 24945068) is cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1C(F)(F)F.
What is the InChIKey of cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone?
The InChIKey is VUPNCHYSPJAHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3S/c23-22(24,25)20-15-26(13-14-27(20)21(28)17-8-2-1-3-9-17)31(29,30)19-12-6-10-16-7-4-5-11-18(16)19/h4-7,10-12,17,20H,1-3,8-9,13-15H2.
What are the key properties of cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone?
cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone has a molecular weight of 454.51 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-naphthalen-1-ylsulfonyl-2-(trifluoromethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24945068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).