EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	S4YF7G89MZ
EPA CompTox	DTXSID00150731

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

S4YF7G89MZ

EPA CompTox

DTXSID00150731


InChI Key	MJAMPGKHIZXVFJ-UHFFFAOYSA-N
Smiles	Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1
InChI	InChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13)

InChI Key

MJAMPGKHIZXVFJ-UHFFFAOYSA-N

Smiles

Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1

InChI

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

Property Name	Value
Molecular Formula	C10H11N3O4S1
Molecular Weight	269.05
AlogP	1.58
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	104.46
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C10H11N3O4S1

Molecular Weight

269.05

AlogP

1.58

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

104.46

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	114438-33-4
NORMAN SUSDAT
FDA SRS	S4YF7G89MZ
PubChem	114821
ChemSpider	102783.0

Resources

Reference

CAS NUMBER

114438-33-4

NORMAN SUSDAT

FDA SRS

S4YF7G89MZ

PubChem

114821

ChemSpider

102783.0

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

SULFAMETHOXAZOLE HYDROXYLAMINE

Structure

Physicochemical Descriptors

Cross References