EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6I8MCB284J

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6I8MCB284J


InChI Key	VJUSDOIKMJHJPN-UHFFFAOYSA-N
Smiles	CNS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N
InChI	InChI=1S/C13H15N3O4S2/c1-15-21(17,18)12-8-4-11(5-9-12)16-22(19,20)13-6-2-10(14)3-7-13/h2-9,15-16H,14H2,1H3

InChI Key

VJUSDOIKMJHJPN-UHFFFAOYSA-N

Smiles

CNS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N

InChI

InChI=1S/C13H15N3O4S2/c1-15-21(17,18)12-8-4-11(5-9-12)16-22(19,20)13-6-2-10(14)3-7-13/h2-9,15-16H,14H2,1H3

Property Name	Value
Molecular Formula	C13H15N3O4S2
Molecular Weight	341.05
AlogP	0.98
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	118.36
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C13H15N3O4S2

Molecular Weight

341.05

AlogP

0.98

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

118.36

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	547-53-5
NORMAN SUSDAT
FDA SRS	6I8MCB284J
PubChem	22174198
ChemSpider	11208681.0

Resources

Reference

CAS NUMBER

547-53-5

NORMAN SUSDAT

FDA SRS

6I8MCB284J

PubChem

22174198

ChemSpider

11208681.0

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

N1-METHYL-N4-SULFANILYLSULFANILAMIDE

Structure

Physicochemical Descriptors

Cross References