EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8BE3C727OG
EPA CompTox	DTXSID30151256

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8BE3C727OG

EPA CompTox

DTXSID30151256


InChI Key	YEAICDDXRUOCKJ-UHFFFAOYSA-N
Smiles	c1cc(ccc1N)S(=O)(=O)Nc2cnccn2
InChI	InChI=1S/C10H10N4O2S/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10/h1-7H,11H2,(H,13,14)

InChI Key

YEAICDDXRUOCKJ-UHFFFAOYSA-N

Smiles

c1cc(ccc1N)S(=O)(=O)Nc2cnccn2

InChI

InChI=1S/C10H10N4O2S/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10/h1-7H,11H2,(H,13,14)

Property Name	Value
Molecular Formula	C10H10N4O2S1
Molecular Weight	250.05
AlogP	0.28
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	101.2
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C10H10N4O2S1

Molecular Weight

250.05

AlogP

0.28

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

101.2

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	116-44-9
NORMAN SUSDAT
FDA SRS	8BE3C727OG
PubChem	8309
ChemSpider	8008.0

Resources

Reference

CAS NUMBER

116-44-9

NORMAN SUSDAT

FDA SRS

8BE3C727OG

PubChem

8309

ChemSpider

8008.0

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

SULFAPYRAZINE

Structure

Physicochemical Descriptors

Cross References