TYOXUGIRRHOAMB-UHFFFAOYSA-N

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

C₁₉H₁₇F₆NO₄S — CID 118395885

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

IUPAC2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide

SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1

InChIInChI=1S/C19H17F6NO4S/c1-2-31(29,30)15-9-3-12(4-10-15)11-16(27)26-14-7-5-13(6-8-14)17(28,18(20,21)22)19(23,24)25/h3-10,28H,2,11H2,1H3,(H,26,27)

InChIKeyTYOXUGIRRHOAMB-UHFFFAOYSA-N

MW469.40 g/mol

LogP3.97

Rot. Bonds6

About TYOXUGIRRHOAMB-UHFFFAOYSA-N

TYOXUGIRRHOAMB-UHFFFAOYSA-N (PubChem CID 118395885) has the molecular formula C₁₉H₁₇F₆NO₄S and a molecular weight of 469.40 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name	TYOXUGIRRHOAMB-UHFFFAOYSA-N
PubChem CID	118395885
Molecular Formula	C₁₉H₁₇F₆NO₄S
Molecular Weight	469.40 g/mol
Exact Mass	469.08
IUPAC Name	2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide
SMILES	CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChI	InChI=1S/C19H17F6NO4S/c1-2-31(29,30)15-9-3-12(4-10-15)11-16(27)26-14-7-5-13(6-8-14)17(28,18(20,21)22)19(23,24)25/h3-10,28H,2,11H2,1H3,(H,26,27)
InChIKey	TYOXUGIRRHOAMB-UHFFFAOYSA-N
XLogP	3.97
TPSA	83.47 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.40
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of TYOXUGIRRHOAMB-UHFFFAOYSA-N (CID 118395885) is 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide.

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

The canonical SMILES for TYOXUGIRRHOAMB-UHFFFAOYSA-N is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.

What is the InChIKey of TYOXUGIRRHOAMB-UHFFFAOYSA-N?

The InChIKey is TYOXUGIRRHOAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO4S/c1-2-31(29,30)15-9-3-12(4-10-15)11-16(27)26-14-7-5-13(6-8-14)17(28,18(20,21)22)19(23,24)25/h3-10,28H,2,11H2,1H3,(H,26,27).

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

TYOXUGIRRHOAMB-UHFFFAOYSA-N has a molecular weight of 469.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for TYOXUGIRRHOAMB-UHFFFAOYSA-N is sourced from PubChem (CID 118395885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118395885 — identifiers, structure, computed properties (public domain)

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