EcoDrugPlus


Synonyms	Chloroquinoxaline sulfonamide Chlorsulfaquinoxaline NSC-339004
Status
Molecule Category	Free-form
UNII	O0408QB48D
EPA CompTox	DTXSID10243340

Synonyms

Chloroquinoxaline sulfonamide

Chlorsulfaquinoxaline

NSC-339004

Status

Molecule Category

Free-form

UNII

O0408QB48D

EPA CompTox

DTXSID10243340


InChI Key	CTSNHMQGVWXIEG-UHFFFAOYSA-N
Smiles	Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1
InChI	InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)

InChI Key

CTSNHMQGVWXIEG-UHFFFAOYSA-N

Smiles

Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1

InChI

InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)

Property Name	Value
Molecular Formula	C14H11ClN4O2S
Molecular Weight	334.79
AlogP	2.67
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	97.97
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C14H11ClN4O2S

Molecular Weight

334.79

AlogP

2.67

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

97.97

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

22.0

Resources	Reference
ChEMBL	CHEMBL1905073
DrugBank	DB12921
FDA SRS	O0408QB48D
PubChem	72462
SureChEMBL	SCHEMBL6375915
ZINC	ZINC000001578344

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

CHLORSULFAQUINOXALINE

Structure

Physicochemical Descriptors

Cross References