EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7R3JYZ3AMG
EPA CompTox	DTXSID70167755

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7R3JYZ3AMG

EPA CompTox

DTXSID70167755


InChI Key	LLRVCLHTBSMJPE-UHFFFAOYSA-N
Smiles	COc1cc(ccc1)N(C)S(=O)(=O)c1ccc(C)cc1
InChI	InChI=1S/C15H17NO3S/c1-12-7-9-15(10-8-12)20(17,18)16(2)13-5-4-6-14(11-13)19-3/h4-11H,1-3H3

InChI Key

LLRVCLHTBSMJPE-UHFFFAOYSA-N

Smiles

COc1cc(ccc1)N(C)S(=O)(=O)c1ccc(C)cc1

InChI

InChI=1S/C15H17NO3S/c1-12-7-9-15(10-8-12)20(17,18)16(2)13-5-4-6-14(11-13)19-3/h4-11H,1-3H3

Property Name	Value
Molecular Formula	C15H17N1O3S1
Molecular Weight	291.09
AlogP	2.83
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	46.61
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H17N1O3S1

Molecular Weight

291.09

AlogP

2.83

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

46.61

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	16437-31-3
NORMAN SUSDAT
FDA SRS	7R3JYZ3AMG
PubChem	85422
ChemSpider	77040.0

Resources

Reference

CAS NUMBER

16437-31-3

NORMAN SUSDAT

FDA SRS

7R3JYZ3AMG

PubChem

85422

ChemSpider

77040.0

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

N-(M-METHOXYPHENYL)-N-METHYL-P-TOLUENESULPHONAMIDE

Structure

Physicochemical Descriptors

Cross References