EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QZ8C8FWQ3L
EPA CompTox	DTXSID60212384

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QZ8C8FWQ3L

EPA CompTox

DTXSID60212384


InChI Key	MWFFIRCXGDGFQB-UHFFFAOYSA-N
Smiles	NC(=O)c1ccc(cc1)S(=O)(=O)N
InChI	InChI=1S/C7H8N2O3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H,(H2,8,10)(H2,9,11,12)

InChI Key

MWFFIRCXGDGFQB-UHFFFAOYSA-N

Smiles

NC(=O)c1ccc(cc1)S(=O)(=O)N

InChI

InChI=1S/C7H8N2O3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H,(H2,8,10)(H2,9,11,12)

Property Name	Value
Molecular Formula	C7H8N2O3S1
Molecular Weight	200.03
AlogP	-0.57
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	103.25
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C7H8N2O3S1

Molecular Weight

200.03

AlogP

-0.57

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

103.25

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	6306-24-7
NORMAN SUSDAT
FDA SRS	QZ8C8FWQ3L
PubChem	80563
ChemSpider	72755.0

Resources

Reference

CAS NUMBER

6306-24-7

NORMAN SUSDAT

FDA SRS

QZ8C8FWQ3L

PubChem

80563

ChemSpider

72755.0

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

P-SULPHAMOYLBENZAMIDE

Structure

Physicochemical Descriptors

Cross References