EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID30348341

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID30348341


InChI Key	OZUNPRDEUXITBO-UHFFFAOYSA-N
Smiles	ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1
InChI	InChI=1S/C24H16Cl2O4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H

InChI Key

OZUNPRDEUXITBO-UHFFFAOYSA-N

Smiles

ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1

InChI

InChI=1S/C24H16Cl2O4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H

Property Name	Value
Molecular Formula	C24H16Cl2O4S2
Molecular Weight	501.99
AlogP	6.33
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	68.28
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C24H16Cl2O4S2

Molecular Weight

501.99

AlogP

6.33

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

5.0

Polar Surface Area

68.28

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	22287-56-5
NORMAN SUSDAT
PubChem	635646

Resources

Reference

CAS NUMBER

22287-56-5

NORMAN SUSDAT

PubChem

635646

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4,4'-BIS(4-CHLOROPHENYLSULPHONYL)B IPHENYL

Structure

Physicochemical Descriptors

Cross References