EcoDrugPlus


Trade Names	DIASONE SODIUM
Synonyms	Aldesulfone sodium Aldesulphone sodium Diasone sodium NSC-27222 Sulfoxone sodium
Status
Molecule Category	Salt-form
UNII	57OWB0Q221
EPA CompTox	DTXSID9023623

Trade Names

DIASONE SODIUM

Synonyms

Aldesulfone sodium

Aldesulphone sodium

Diasone sodium

NSC-27222

Sulfoxone sodium

Status

Molecule Category

Salt-form

UNII

57OWB0Q221

EPA CompTox

DTXSID9023623


InChI Key	AZBNFLZFSZDPQF-UHFFFAOYSA-L
Smiles	O=S([O-])CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)[O-])cc2)cc1.[Na+].[Na+]
InChI	InChI=1S/C14H16N2O6S3.2Na/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20;;/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20);;/q;2*+1/p-2

InChI Key

AZBNFLZFSZDPQF-UHFFFAOYSA-L

Smiles

O=S([O-])CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)[O-])cc2)cc1.[Na+].[Na+]

InChI

InChI=1S/C14H16N2O6S3.2Na/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20;;/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20);;/q;2*+1/p-2

Property Name	Value
Molecular Formula	C14H14N2Na2O6S3
Molecular Weight	448.45
AlogP	1.7
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	132.8
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C14H14N2Na2O6S3

Molecular Weight

448.45

AlogP

1.7

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

8.0

Polar Surface Area

132.8

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

25.0

Mechanism of Action	Action	Reference
Dihydropteroate synthase 1 inhibitor	INHIBITOR	ISBN ISBN PubMed PubMed Wikipedia

Mechanism of Action

Action

Reference

Dihydropteroate synthase 1 inhibitor

INHIBITOR

ISBN ISBN PubMed PubMed Wikipedia

Resources	Reference
ChEMBL	CHEMBL1200580
FDA SRS	57OWB0Q221
PubChem	8954
SureChEMBL	SCHEMBL155722

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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...

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Last update: Monday, 3 November 2025

SULFOXONE SODIUM

Structure

Physicochemical Descriptors

Pharmacology

Cross References