EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	B6831ORH7W

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

B6831ORH7W


InChI Key	NBSRUZQXRUNPNY-UHFFFAOYSA-N
Smiles	O=C(O)C1=CC(N=NC2=CC=C(C=C2)S(=O)(=O)N)=CC=C1O
InChI	InChI=1/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)

InChI Key

NBSRUZQXRUNPNY-UHFFFAOYSA-N

Smiles

O=C(O)C1=CC(N=NC2=CC=C(C=C2)S(=O)(=O)N)=CC=C1O

InChI

InChI=1/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)

Property Name	Value
Molecular Formula	C13H11N3O5S
Molecular Weight	321.04
AlogP	2.15
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	142.41
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C13H11N3O5S

Molecular Weight

321.04

AlogP

2.15

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

142.41

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	139-56-0
NORMAN SUSDAT
FDA SRS	B6831ORH7W
PubChem	67316

Resources

Reference

CAS NUMBER

139-56-0

NORMAN SUSDAT

FDA SRS

B6831ORH7W

PubChem

67316

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

SALAZOSULFAMIDE

Structure

Physicochemical Descriptors

Cross References