GTSRUQHDGIMSEK-UHFFFAOYSA-N

Name: GTSRUQHDGIMSEK-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₀F₃N₃O₄S — CID 118273562

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(4-methylsulfonylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1

InChIInChI=1S/C22H20F3N3O4S/c1-33(30,31)17-8-10-28(11-9-17)21(29)19-5-2-14-12-16(4-6-18(14)27-19)32-20-7-3-15(13-26-20)22(23,24)25/h2-7,12-13,17H,8-11H2,1H3

InChIKeyGTSRUQHDGIMSEK-UHFFFAOYSA-N

MW479.48 g/mol

LogP4.09

Rot. Bonds4

About GTSRUQHDGIMSEK-UHFFFAOYSA-N

GTSRUQHDGIMSEK-UHFFFAOYSA-N (PubChem CID 118273562) has the molecular formula C₂₂H₂₀F₃N₃O₄S and a molecular weight of 479.48 g/mol. Its IUPAC name is (4-methylsulfonylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name	GTSRUQHDGIMSEK-UHFFFAOYSA-N
PubChem CID	118273562
Molecular Formula	C₂₂H₂₀F₃N₃O₄S
Molecular Weight	479.48 g/mol
Exact Mass	479.11
IUPAC Name	(4-methylsulfonylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILES	CS(=O)(=O)C1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1
InChI	InChI=1S/C22H20F3N3O4S/c1-33(30,31)17-8-10-28(11-9-17)21(29)19-5-2-14-12-16(4-6-18(14)27-19)32-20-7-3-15(13-26-20)22(23,24)25/h2-7,12-13,17H,8-11H2,1H3
InChIKey	GTSRUQHDGIMSEK-UHFFFAOYSA-N
XLogP	4.09
TPSA	89.46 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.48
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of GTSRUQHDGIMSEK-UHFFFAOYSA-N?

The IUPAC name of GTSRUQHDGIMSEK-UHFFFAOYSA-N (CID 118273562) is (4-methylsulfonylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

What is the SMILES notation for GTSRUQHDGIMSEK-UHFFFAOYSA-N?

The canonical SMILES for GTSRUQHDGIMSEK-UHFFFAOYSA-N is CS(=O)(=O)C1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1.

What is the InChIKey of GTSRUQHDGIMSEK-UHFFFAOYSA-N?

The InChIKey is GTSRUQHDGIMSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4S/c1-33(30,31)17-8-10-28(11-9-17)21(29)19-5-2-14-12-16(4-6-18(14)27-19)32-20-7-3-15(13-26-20)22(23,24)25/h2-7,12-13,17H,8-11H2,1H3.

What are the key properties of GTSRUQHDGIMSEK-UHFFFAOYSA-N?

GTSRUQHDGIMSEK-UHFFFAOYSA-N has a molecular weight of 479.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for GTSRUQHDGIMSEK-UHFFFAOYSA-N is sourced from PubChem (CID 118273562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118273562 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.