EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7TY7WT1599
EPA CompTox	DTXSID6032645

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7TY7WT1599

EPA CompTox

DTXSID6032645


InChI Key	OORLZFUTLGXMEF-UHFFFAOYSA-N
Smiles	O=S(=O)(Nc2c(Cl)cc(Cl)c(N1/N=C(N(C1=O)C(F)F)C)c2)C
InChI	InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3

InChI Key

OORLZFUTLGXMEF-UHFFFAOYSA-N

Smiles

O=S(=O)(Nc2c(Cl)cc(Cl)c(N1/N=C(N(C1=O)C(F)F)C)c2)C

InChI

InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3

Property Name	Value
Molecular Formula	C11H10Cl2F2N4O3S1
Molecular Weight	385.98
AlogP	2.42
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	85.99
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C11H10Cl2F2N4O3S1

Molecular Weight

385.98

AlogP

2.42

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

85.99

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	122836-35-5
NORMAN SUSDAT
FDA SRS	7TY7WT1599
PubChem	86369
ChemSpider	77887.0

Resources

Reference

CAS NUMBER

122836-35-5

NORMAN SUSDAT

FDA SRS

7TY7WT1599

PubChem

86369

ChemSpider

77887.0

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...

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

Last update: Monday, 3 November 2025

SULFENTRAZONE

Structure

Physicochemical Descriptors

Cross References