EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JLC84M74XM
EPA CompTox	DTXSID10173158

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JLC84M74XM

EPA CompTox

DTXSID10173158


InChI Key	UIWFWZLAICURGT-UHFFFAOYSA-N
Smiles	COc1ccc(cc1)S(=O)(=O)NN
InChI	InChI=1S/C7H10N2O3S/c1-12-6-2-4-7(5-3-6)13(10,11)9-8/h2-5,9H,8H2,1H3

InChI Key

UIWFWZLAICURGT-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)S(=O)(=O)NN

InChI

InChI=1S/C7H10N2O3S/c1-12-6-2-4-7(5-3-6)13(10,11)9-8/h2-5,9H,8H2,1H3

Property Name	Value
Molecular Formula	C7H10N2O3S1
Molecular Weight	202.04
AlogP	-0.15
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	81.42
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C7H10N2O3S1

Molecular Weight

202.04

AlogP

-0.15

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

81.42

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	1950-68-1
NORMAN SUSDAT
FDA SRS	JLC84M74XM
PubChem	74766
ChemSpider	67338.0

Resources

Reference

CAS NUMBER

1950-68-1

NORMAN SUSDAT

FDA SRS

JLC84M74XM

PubChem

74766

ChemSpider

67338.0

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-METHOXYBENZENESULPHONYL HYDRAZIDE

Structure

Physicochemical Descriptors

Cross References