EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P60K8QK3AA

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P60K8QK3AA


InChI Key	VYBZOPZNLLIEFX-UHFFFAOYSA-N
Smiles	CN=C1SCC(O)(N1C)c2ccc(Cl)c(c2)[S](N)(=O)=O
InChI	InChI=1S/C11H14ClN3O3S2/c1-14-10-15(2)11(16,6-19-10)7-3-4-8(12)9(5-7)20(13,17)18/h3-5,16H,6H2,1-2H3,(H2,13,17,18)

InChI Key

VYBZOPZNLLIEFX-UHFFFAOYSA-N

Smiles

CN=C1SCC(O)(N1C)c2ccc(Cl)c(c2)[S](N)(=O)=O

InChI

InChI=1S/C11H14ClN3O3S2/c1-14-10-15(2)11(16,6-19-10)7-3-4-8(12)9(5-7)20(13,17)18/h3-5,16H,6H2,1-2H3,(H2,13,17,18)

Property Name	Value
Molecular Formula	C11H14Cl1N3O3S2
Molecular Weight	335.02
AlogP	0.8
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	95.99
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C11H14Cl1N3O3S2

Molecular Weight

335.02

AlogP

0.8

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

95.99

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	56488-58-5
NORMAN SUSDAT
FDA SRS	P60K8QK3AA

Resources

Reference

CAS NUMBER

56488-58-5

NORMAN SUSDAT

FDA SRS

P60K8QK3AA

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

TIZOLEMIDE

Structure

Physicochemical Descriptors

Cross References