EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZXC0PT8FFS
EPA CompTox	DTXSID20177829

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZXC0PT8FFS

EPA CompTox

DTXSID20177829


InChI Key	DAUFGBIKKGOPJA-UHFFFAOYSA-N
Smiles	Cc1c(C)c(NS(=O)(=O)c2ccc(N)cc2)no1
InChI	InChI=1S/C11H13N3O3S/c1-7-8(2)17-13-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)

InChI Key

DAUFGBIKKGOPJA-UHFFFAOYSA-N

Smiles

Cc1c(C)c(NS(=O)(=O)c2ccc(N)cc2)no1

InChI

InChI=1S/C11H13N3O3S/c1-7-8(2)17-13-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)

Property Name	Value
Molecular Formula	C11H13N3O3S1
Molecular Weight	267.07
AlogP	1.67
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	98.22
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C11H13N3O3S1

Molecular Weight

267.07

AlogP

1.67

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

98.22

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	23256-23-7
NORMAN SUSDAT
FDA SRS	ZXC0PT8FFS
PubChem	31771
ChemSpider	29463.0

Resources

Reference

CAS NUMBER

23256-23-7

NORMAN SUSDAT

FDA SRS

ZXC0PT8FFS

PubChem

31771

ChemSpider

29463.0

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

SULFATROXAZOLE

Structure

Physicochemical Descriptors

Cross References