4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid

C14H17F3N2O5S — CID 158450308

IUPAC4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O5S/c15-14(16,17)24-11-3-1-2-4-12(11)25(22,23)18-9-10-5-7-19(8-6-10)13(20)21/h1-4,10,18H,5-9H2,(H,20,21)
InChIKeyHDWZVZJHYGFHEA-UHFFFAOYSA-N
MW382.36 g/mol
LogP2.25
Rot. Bonds5

About 4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid

4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid (PubChem CID 158450308) has the molecular formula C14H17F3N2O5S and a molecular weight of 382.36 g/mol. Its IUPAC name is 4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid
PubChem CID158450308
Molecular FormulaC14H17F3N2O5S
Molecular Weight382.36 g/mol
Exact Mass382.08
IUPAC Name4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O5S/c15-14(16,17)24-11-3-1-2-4-12(11)25(22,23)18-9-10-5-7-19(8-6-10)13(20)21/h1-4,10,18H,5-9H2,(H,20,21)
InChIKeyHDWZVZJHYGFHEA-UHFFFAOYSA-N
XLogP2.25
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid (CID 158450308) is 4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of 4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid?
The InChIKey is HDWZVZJHYGFHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O5S/c15-14(16,17)24-11-3-1-2-4-12(11)25(22,23)18-9-10-5-7-19(8-6-10)13(20)21/h1-4,10,18H,5-9H2,(H,20,21).
What are the key properties of 4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid?
4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid has a molecular weight of 382.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 158450308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).