EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID80864521

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID80864521


InChI Key	UZMOXNBUTMPDCX-UHFFFAOYSA-N
Smiles	C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C(=C)C
InChI	InChI=1S/C15H12F17NO4S/c1-6(2)7(34)37-5-4-33(3)38(35,36)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h1,4-5H2,2-3H3

InChI Key

UZMOXNBUTMPDCX-UHFFFAOYSA-N

Smiles

C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C(=C)C

InChI

InChI=1S/C15H12F17NO4S/c1-6(2)7(34)37-5-4-33(3)38(35,36)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h1,4-5H2,2-3H3

Property Name	Value
Molecular Formula	C15H12F17N1O4S1
Molecular Weight	625.02
AlogP	5.33
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	12.0
Polar Surface Area	63.68
Heavy Atoms	38.0

Property Name

Value

Molecular Formula

C15H12F17N1O4S1

Molecular Weight

625.02

AlogP

5.33

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

12.0

Polar Surface Area

63.68

Heavy Atoms

38.0

Resources	Reference
CAS NUMBER	14650-24-9
NORMAN SUSDAT
PubChem	84574
ChemSpider	76296.0

Resources

Reference

CAS NUMBER

14650-24-9

NORMAN SUSDAT

PubChem

84574

ChemSpider

76296.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2-(((HEPTADECAFLUOROOCTYL)SULFONYL)METHYLAMINO)ETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References