EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9QI6W9Z13V
EPA CompTox	DTXSID70188283

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9QI6W9Z13V

EPA CompTox

DTXSID70188283


InChI Key	JDAJYNHGBUXIKS-UHFFFAOYSA-N
Smiles	Clc1ccc(c(Cl)c1Cl)S(=O)(=O)Cl
InChI	InChI=1S/C6H2Cl4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H

InChI Key

JDAJYNHGBUXIKS-UHFFFAOYSA-N

Smiles

Clc1ccc(c(Cl)c1Cl)S(=O)(=O)Cl

InChI

InChI=1S/C6H2Cl4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H

Property Name	Value
Molecular Formula	C6H2Cl4O2S1
Molecular Weight	277.85
AlogP	3.57
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	34.14
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C6H2Cl4O2S1

Molecular Weight

277.85

AlogP

3.57

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

34.14

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	34732-09-7
NORMAN SUSDAT
FDA SRS	9QI6W9Z13V
PubChem	36904
ChemSpider	33863.0

Resources

Reference

CAS NUMBER

34732-09-7

NORMAN SUSDAT

FDA SRS

9QI6W9Z13V

PubChem

36904

ChemSpider

33863.0

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

2,3,4-TRICHLOROBENZENESULFONYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References