EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L2GWR3US1G

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L2GWR3US1G


InChI Key	QQWLXNMPPFCVCD-UHFFFAOYSA-N
Smiles	O=C1C=2C=CC=CC2S(=O)(=O)N1C3C(=O)NCCC3
InChI	InChI=1/C12H12N2O4S/c15-11-9(5-3-7-13-11)14-12(16)8-4-1-2-6-10(8)19(14,17)18/h1-2,4,6,9H,3,5,7H2,(H,13,15)

InChI Key

QQWLXNMPPFCVCD-UHFFFAOYSA-N

Smiles

O=C1C=2C=CC=CC2S(=O)(=O)N1C3C(=O)NCCC3

InChI

InChI=1/C12H12N2O4S/c15-11-9(5-3-7-13-11)14-12(16)8-4-1-2-6-10(8)19(14,17)18/h1-2,4,6,9H,3,5,7H2,(H,13,15)

Property Name	Value
Molecular Formula	C12H12N2O4S
Molecular Weight	280.05
AlogP	0.95
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	87.04
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C12H12N2O4S

Molecular Weight

280.05

AlogP

0.95

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

87.04

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	49785-74-2
NORMAN SUSDAT
FDA SRS	L2GWR3US1G
PubChem	39528

Resources

Reference

CAS NUMBER

49785-74-2

NORMAN SUSDAT

FDA SRS

L2GWR3US1G

PubChem

39528

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

SUPIDIMIDE

Structure

Physicochemical Descriptors

Cross References