EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EPX2F6S77T
EPA CompTox	DTXSID00240580

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EPX2F6S77T

EPA CompTox

DTXSID00240580


InChI Key	UHCDBMIOLNKDHG-UHFFFAOYSA-N
Smiles	O=S(=O)(Cl)C1=CC=C(OC(F)(F)F)C=C1
InChI	InChI=1/C7H4ClF3O3S/c8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11/h1-4H

InChI Key

UHCDBMIOLNKDHG-UHFFFAOYSA-N

Smiles

O=S(=O)(Cl)C1=CC=C(OC(F)(F)F)C=C1

InChI

InChI=1/C7H4ClF3O3S/c8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11/h1-4H

Property Name	Value
Molecular Formula	C7H4ClF3O3S
Molecular Weight	259.95
AlogP	2.51
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	43.37
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C7H4ClF3O3S

Molecular Weight

259.95

AlogP

2.51

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

43.37

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	94108-56-2
NORMAN SUSDAT
FDA SRS	EPX2F6S77T
PubChem	523102

Resources

Reference

CAS NUMBER

94108-56-2

NORMAN SUSDAT

FDA SRS

EPX2F6S77T

PubChem

523102

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

P-(TRIFLUOROMETHOXY)BENZENESULPHONYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References