EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NCK4R38PGU
EPA CompTox	DTXSID50186060

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NCK4R38PGU

EPA CompTox

DTXSID50186060


InChI Key	IOMPMWRTYPIHRM-UHFFFAOYSA-N
Smiles	COc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
InChI	InChI=1S/C10H11N3O4S/c1-16-10-6-9(12-17-10)13-18(14,15)8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13)

InChI Key

IOMPMWRTYPIHRM-UHFFFAOYSA-N

Smiles

COc1cc(NS(=O)(=O)c2ccc(N)cc2)no1

InChI

InChI=1S/C10H11N3O4S/c1-16-10-6-9(12-17-10)13-18(14,15)8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13)

Property Name	Value
Molecular Formula	C10H11N3O4S1
Molecular Weight	269.05
AlogP	0.49
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	110.68
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C10H11N3O4S1

Molecular Weight

269.05

AlogP

0.49

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

110.68

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	32326-14-0
NORMAN SUSDAT
FDA SRS	NCK4R38PGU
PubChem	122586
ChemSpider	109295.0

Resources

Reference

CAS NUMBER

32326-14-0

NORMAN SUSDAT

FDA SRS

NCK4R38PGU

PubChem

122586

ChemSpider

109295.0

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...

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Last update: Monday, 3 November 2025

N1-(5-METHOXYISOXAZOL-3-YL)SULPHANILAMIDE

Structure

Physicochemical Descriptors

Cross References