EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZUZ5S5875E
EPA CompTox	DTXSID70162306

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZUZ5S5875E

EPA CompTox

DTXSID70162306


InChI Key	TYNBFJJKZPTRKS-UHFFFAOYSA-N
Smiles	CN(C)c1cccc2c(cccc12)S(=O)(=O)N
InChI	InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)

InChI Key

TYNBFJJKZPTRKS-UHFFFAOYSA-N

Smiles

CN(C)c1cccc2c(cccc12)S(=O)(=O)N

InChI

InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)

Property Name	Value
Molecular Formula	C12H14N2O2S1
Molecular Weight	250.08
AlogP	1.55
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	63.4
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C12H14N2O2S1

Molecular Weight

250.08

AlogP

1.55

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

63.4

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	1431-39-6
NORMAN SUSDAT
FDA SRS	ZUZ5S5875E
PubChem	65077
ChemSpider	58587.0

Resources

Reference

CAS NUMBER

1431-39-6

NORMAN SUSDAT

FDA SRS

ZUZ5S5875E

PubChem

65077

ChemSpider

58587.0

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

5-DIMETHYLAMINONAPHTHALENE-1-SULFONAMIDE

Structure

Physicochemical Descriptors

Cross References