EcoDrugPlus


Synonyms	LY-573636 Ly573636 Tasisulam
Status
Molecule Category	Free-form
UNII	1YC4W9MSLJ
EPA CompTox	DTXSID20199869

Synonyms

LY-573636

Ly573636

Tasisulam

Status

Molecule Category

Free-form

UNII

1YC4W9MSLJ

EPA CompTox

DTXSID20199869


InChI Key	WWONFUQGBVOKOF-UHFFFAOYSA-N
Smiles	O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl
InChI	InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)

InChI Key

WWONFUQGBVOKOF-UHFFFAOYSA-N

Smiles

O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl

InChI

InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)

Property Name	Value
Molecular Formula	C11H6BrCl2NO3S2
Molecular Weight	415.12
AlogP	3.94
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	63.24
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C11H6BrCl2NO3S2

Molecular Weight

415.12

AlogP

3.94

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

63.24

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

20.0

Resources	Reference
ChEMBL	CHEMBL2110587
DrugBank	DB11941
FDA SRS	1YC4W9MSLJ
PDB	P7M
PubChem	10160238
SureChEMBL	SCHEMBL1581371
ZINC	ZINC000003816311

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PDB

PubChem

SureChEMBL

ZINC

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

TASISULAM

Structure

Physicochemical Descriptors

Cross References