2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide

C15H16F3N3O3S2 — CID 46880764

IUPAC2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C15H16F3N3O3S2/c16-15(17,18)11-3-1-2-4-12(11)24-10-5-7-21(8-6-10)14-20-9-13(25-14)26(19,22)23/h1-4,9-10H,5-8H2,(H2,19,22,23)
InChIKeyUTVXGMXIEZCHNS-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.86
Rot. Bonds4

About 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide

2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 46880764) has the molecular formula C15H16F3N3O3S2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide
PubChem CID46880764
Molecular FormulaC15H16F3N3O3S2
Molecular Weight407.44 g/mol
Exact Mass407.06
IUPAC Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C15H16F3N3O3S2/c16-15(17,18)11-3-1-2-4-12(11)24-10-5-7-21(8-6-10)14-20-9-13(25-14)26(19,22)23/h1-4,9-10H,5-8H2,(H2,19,22,23)
InChIKeyUTVXGMXIEZCHNS-UHFFFAOYSA-N
XLogP2.86
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide (CID 46880764) is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is UTVXGMXIEZCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S2/c16-15(17,18)11-3-1-2-4-12(11)24-10-5-7-21(8-6-10)14-20-9-13(25-14)26(19,22)23/h1-4,9-10H,5-8H2,(H2,19,22,23).
What are the key properties of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide?
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 407.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 46880764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).