3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid

C13H15F3N2O5S — CID 175321112

IUPAC3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C13H15F3N2O5S/c14-13(15,16)23-10-3-5-11(6-4-10)24(21,22)17-9-2-1-7-18(8-9)12(19)20/h3-6,9,17H,1-2,7-8H2,(H,19,20)
InChIKeyLXJQGEIRKNCRNO-UHFFFAOYSA-N
MW368.33 g/mol
LogP2.01
Rot. Bonds4

About 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid

3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid (PubChem CID 175321112) has the molecular formula C13H15F3N2O5S and a molecular weight of 368.33 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
PubChem CID175321112
Molecular FormulaC13H15F3N2O5S
Molecular Weight368.33 g/mol
Exact Mass368.07
IUPAC Name3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C13H15F3N2O5S/c14-13(15,16)23-10-3-5-11(6-4-10)24(21,22)17-9-2-1-7-18(8-9)12(19)20/h3-6,9,17H,1-2,7-8H2,(H,19,20)
InChIKeyLXJQGEIRKNCRNO-UHFFFAOYSA-N
XLogP2.01
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid 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 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid (CID 175321112) is 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid is O=C(O)N1CCCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid?
The InChIKey is LXJQGEIRKNCRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O5S/c14-13(15,16)23-10-3-5-11(6-4-10)24(21,22)17-9-2-1-7-18(8-9)12(19)20/h3-6,9,17H,1-2,7-8H2,(H,19,20).
What are the key properties of 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid?
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid has a molecular weight of 368.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 175321112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).