EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WJ075RF748
EPA CompTox	DTXSID90888854

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WJ075RF748

EPA CompTox

DTXSID90888854


InChI Key	WYFKZPLSYVJLRB-UHFFFAOYSA-N
Smiles	CN(C)C(=O)c1cccnc1S(N)(=O)=O
InChI	InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)

InChI Key

WYFKZPLSYVJLRB-UHFFFAOYSA-N

Smiles

CN(C)C(=O)c1cccnc1S(N)(=O)=O

InChI

InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)

Property Name	Value
Molecular Formula	C8H11N3O3S1
Molecular Weight	229.05
AlogP	-0.57
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	93.36
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C8H11N3O3S1

Molecular Weight

229.05

AlogP

-0.57

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

93.36

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	112006-75-4
NORMAN SUSDAT
FDA SRS	WJ075RF748
PubChem	14346876
ChemSpider	15615125.0

Resources

Reference

CAS NUMBER

112006-75-4

NORMAN SUSDAT

FDA SRS

WJ075RF748

PubChem

14346876

ChemSpider

15615125.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

3-PYRIDINECARBOXAMIDE, 2-(AMINOSULFONYL)-N,N-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References