EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	U3227B174V
EPA CompTox	DTXSID20212547

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

U3227B174V

EPA CompTox

DTXSID20212547


InChI Key	JVYKJZPZFIUYAB-UHFFFAOYSA-N
Smiles	Cc1cc(sn1)NS(=O)(=O)c2ccc(cc2)N
InChI	InChI=1S/C10H11N3O2S2/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3

InChI Key

JVYKJZPZFIUYAB-UHFFFAOYSA-N

Smiles

Cc1cc(sn1)NS(=O)(=O)c2ccc(cc2)N

InChI

InChI=1S/C10H11N3O2S2/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3

Property Name	Value
Molecular Formula	C10H11N3O2S2
Molecular Weight	269.03
AlogP	1.83
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	85.08
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C10H11N3O2S2

Molecular Weight

269.03

AlogP

1.83

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

85.08

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	632-00-8
NORMAN SUSDAT
FDA SRS	U3227B174V
PubChem	69433
ChemSpider	62641.0

Resources

Reference

CAS NUMBER

632-00-8

NORMAN SUSDAT

FDA SRS

U3227B174V

PubChem

69433

ChemSpider

62641.0

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

SULFASOMIZOLE

Structure

Physicochemical Descriptors

Cross References