DQPQEOXOLPEHBS-UHFFFAOYSA-N

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

C₂₅H₂₇F₂N₃O₄S — CID 121250516

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

IUPAC6-tert-butyl-N-[[6-(difluoromethyl)-2-pyridinyl]sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

SMILESCc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(C(F)F)n2)c(C)c1

InChIInChI=1S/C25H27F2N3O4S/c1-14-12-15(2)21(16(3)13-14)34-24-17(10-11-19(29-24)25(4,5)6)23(31)30-35(32,33)20-9-7-8-18(28-20)22(26)27/h7-13,22H,1-6H3,(H,30,31)

InChIKeyDQPQEOXOLPEHBS-UHFFFAOYSA-N

MW503.57 g/mol

LogP5.55

Rot. Bonds6

About DQPQEOXOLPEHBS-UHFFFAOYSA-N

DQPQEOXOLPEHBS-UHFFFAOYSA-N (PubChem CID 121250516) has the molecular formula C₂₅H₂₇F₂N₃O₄S and a molecular weight of 503.57 g/mol. Its IUPAC name is 6-tert-butyl-N-[[6-(difluoromethyl)-2-pyridinyl]sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name	DQPQEOXOLPEHBS-UHFFFAOYSA-N
PubChem CID	121250516
Molecular Formula	C₂₅H₂₇F₂N₃O₄S
Molecular Weight	503.57 g/mol
Exact Mass	503.17
IUPAC Name	6-tert-butyl-N-[[6-(difluoromethyl)-2-pyridinyl]sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILES	Cc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(C(F)F)n2)c(C)c1
InChI	InChI=1S/C25H27F2N3O4S/c1-14-12-15(2)21(16(3)13-14)34-24-17(10-11-19(29-24)25(4,5)6)23(31)30-35(32,33)20-9-7-8-18(28-20)22(26)27/h7-13,22H,1-6H3,(H,30,31)
InChIKey	DQPQEOXOLPEHBS-UHFFFAOYSA-N
XLogP	5.55
TPSA	98.25 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.57
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of DQPQEOXOLPEHBS-UHFFFAOYSA-N (CID 121250516) is 6-tert-butyl-N-[[6-(difluoromethyl)-2-pyridinyl]sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

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

The canonical SMILES for DQPQEOXOLPEHBS-UHFFFAOYSA-N is Cc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(C(F)F)n2)c(C)c1.

What is the InChIKey of DQPQEOXOLPEHBS-UHFFFAOYSA-N?

The InChIKey is DQPQEOXOLPEHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O4S/c1-14-12-15(2)21(16(3)13-14)34-24-17(10-11-19(29-24)25(4,5)6)23(31)30-35(32,33)20-9-7-8-18(28-20)22(26)27/h7-13,22H,1-6H3,(H,30,31).

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

DQPQEOXOLPEHBS-UHFFFAOYSA-N has a molecular weight of 503.57 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for DQPQEOXOLPEHBS-UHFFFAOYSA-N is sourced from PubChem (CID 121250516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121250516 — identifiers, structure, computed properties (public domain)

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