4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine

C17H19ClF3N3O3S — CID 72550007

IUPAC4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C17H19ClF3N3O3S/c1-10-16(11(2)23-22-10)28(25,26)24-7-5-13(6-8-24)27-15-4-3-12(18)9-14(15)17(19,20)21/h3-4,9,13H,5-8H2,1-2H3,(H,22,23)
InChIKeyHCVXGWGKJCDLHW-UHFFFAOYSA-N
MW437.87 g/mol
LogP3.93
Rot. Bonds4

About 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine

4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine (PubChem CID 72550007) has the molecular formula C17H19ClF3N3O3S and a molecular weight of 437.87 g/mol. Its IUPAC name is 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
PubChem CID72550007
Molecular FormulaC17H19ClF3N3O3S
Molecular Weight437.87 g/mol
Exact Mass437.08
IUPAC Name4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C17H19ClF3N3O3S/c1-10-16(11(2)23-22-10)28(25,26)24-7-5-13(6-8-24)27-15-4-3-12(18)9-14(15)17(19,20)21/h3-4,9,13H,5-8H2,1-2H3,(H,22,23)
InChIKeyHCVXGWGKJCDLHW-UHFFFAOYSA-N
XLogP3.93
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.87
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine 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 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The IUPAC name of 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine (CID 72550007) is 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine.
What is the SMILES notation for 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The canonical SMILES for 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2ccc(Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The InChIKey is HCVXGWGKJCDLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N3O3S/c1-10-16(11(2)23-22-10)28(25,26)24-7-5-13(6-8-24)27-15-4-3-12(18)9-14(15)17(19,20)21/h3-4,9,13H,5-8H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine has a molecular weight of 437.87 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(trifluoromethyl)phenoxy]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine is sourced from PubChem (CID 72550007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).