EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NP23MQ4EMX
EPA CompTox	DTXSID60183848

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NP23MQ4EMX

EPA CompTox

DTXSID60183848


InChI Key	UIOIASSGJKTELU-UHFFFAOYSA-N
Smiles	CCCCNS(=O)(=O)c1cccc2c(C)ccc(O)c12
InChI	InChI=1S/C15H19NO3S/c1-3-4-10-16-20(18,19)14-7-5-6-12-11(2)8-9-13(17)15(12)14/h5-9,16-17H,3-4,10H2,1-2H3

InChI Key

UIOIASSGJKTELU-UHFFFAOYSA-N

Smiles

CCCCNS(=O)(=O)c1cccc2c(C)ccc(O)c12

InChI

InChI=1S/C15H19NO3S/c1-3-4-10-16-20(18,19)14-7-5-6-12-11(2)8-9-13(17)15(12)14/h5-9,16-17H,3-4,10H2,1-2H3

Property Name	Value
Molecular Formula	C15H19N1O3S1
Molecular Weight	293.11
AlogP	2.93
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	66.4
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H19N1O3S1

Molecular Weight

293.11

AlogP

2.93

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

66.4

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	2970-26-5
NORMAN SUSDAT
FDA SRS	NP23MQ4EMX
PubChem	76301
ChemSpider	68780.0

Resources

Reference

CAS NUMBER

2970-26-5

NORMAN SUSDAT

FDA SRS

NP23MQ4EMX

PubChem

76301

ChemSpider

68780.0

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-BUTYL-8-HYDROXY-5-METHYLNAPHTHALENE-1-SULPHONAMIDE

Structure

Physicochemical Descriptors

Cross References