EcoDrugPlus


Synonyms	Cxl-1020
Status
Molecule Category	Free-form
UNII	T7Q0XY74OK

Synonyms

Cxl-1020

Status

Molecule Category

Free-form

UNII

T7Q0XY74OK


InChI Key	RZRWBKKAFHXNEQ-UHFFFAOYSA-N
Smiles	CS(=O)(=O)c1ccccc1S(=O)(=O)NO
InChI	InChI=1S/C7H9NO5S2/c1-14(10,11)6-4-2-3-5-7(6)15(12,13)8-9/h2-5,8-9H,1H3

InChI Key

RZRWBKKAFHXNEQ-UHFFFAOYSA-N

Smiles

CS(=O)(=O)c1ccccc1S(=O)(=O)NO

InChI

InChI=1S/C7H9NO5S2/c1-14(10,11)6-4-2-3-5-7(6)15(12,13)8-9/h2-5,8-9H,1H3

Property Name	Value
Molecular Formula	C7H9NO5S2
Molecular Weight	251.28
AlogP	-0.24
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	100.54
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C7H9NO5S2

Molecular Weight

251.28

AlogP

-0.24

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

100.54

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

15.0

Resources	Reference
ChEMBL	CHEMBL4297464
DrugBank	DB15326
FDA SRS	T7Q0XY74OK
PubChem	52939580
SureChEMBL	SCHEMBL1767680

Resources

Reference

ChEMBL

DrugBank

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

CXL-1020

Structure

Physicochemical Descriptors

Cross References