EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5QEH69594N
EPA CompTox	DTXSID30152642

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5QEH69594N

EPA CompTox

DTXSID30152642


InChI Key	LFAXYIHYMGEIHW-UHFFFAOYSA-N
Smiles	Cc1ccc(cc1C)C(=O)NS(=O)(=O)c1ccc(N)cc1
InChI	InChI=1S/C15H16N2O3S/c1-10-3-4-12(9-11(10)2)15(18)17-21(19,20)14-7-5-13(16)6-8-14/h3-9H,16H2,1-2H3,(H,17,18)

InChI Key

LFAXYIHYMGEIHW-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1C)C(=O)NS(=O)(=O)c1ccc(N)cc1

InChI

InChI=1S/C15H16N2O3S/c1-10-3-4-12(9-11(10)2)15(18)17-21(19,20)14-7-5-13(16)6-8-14/h3-9H,16H2,1-2H3,(H,17,18)

Property Name	Value
Molecular Formula	C15H16N2O3S1
Molecular Weight	304.09
AlogP	2.0
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	89.26
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H16N2O3S1

Molecular Weight

304.09

AlogP

2.0

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

89.26

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	120-34-3
NORMAN SUSDAT
FDA SRS	5QEH69594N
PubChem	67118
ChemSpider	60466.0

Resources

Reference

CAS NUMBER

120-34-3

NORMAN SUSDAT

FDA SRS

5QEH69594N

PubChem

67118

ChemSpider

60466.0

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

N-SULFANILYL-3,4-XYLAMIDE

Structure

Physicochemical Descriptors

Cross References