EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	U700P169W2
EPA CompTox	DTXSID8045351

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

U700P169W2

EPA CompTox

DTXSID8045351


InChI Key	WMPXPUYPYQKQCX-UHFFFAOYSA-N
Smiles	COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1
InChI	InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)

InChI Key

WMPXPUYPYQKQCX-UHFFFAOYSA-N

Smiles

COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1

InChI

InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)

Property Name	Value
Molecular Formula	C11H12N4O3S1
Molecular Weight	280.06
AlogP	0.87
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	107.2
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C11H12N4O3S1

Molecular Weight

280.06

AlogP

0.87

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

107.2

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	1220-83-3
NORMAN SUSDAT
FDA SRS	U700P169W2
PubChem	5332
ChemSpider	5141.0

Resources

Reference

CAS NUMBER

1220-83-3

NORMAN SUSDAT

FDA SRS

U700P169W2

PubChem

5332

ChemSpider

5141.0

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

SULFAMONOMETHOXINE

Structure

Physicochemical Descriptors

Cross References