EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID8057691

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID8057691


InChI Key	AZEPYUPSYWCRBG-UHFFFAOYSA-N
Smiles	NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChI	InChI=1S/C7H7ClN2O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,(H3,9,10,11)

InChI Key

AZEPYUPSYWCRBG-UHFFFAOYSA-N

Smiles

NC(=O)NS(=O)(=O)c1ccc(Cl)cc1

InChI

InChI=1S/C7H7ClN2O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,(H3,9,10,11)

Property Name	Value
Molecular Formula	C7H7Cl1N2O3S1
Molecular Weight	233.99
AlogP	1.11
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	90.25
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C7H7Cl1N2O3S1

Molecular Weight

233.99

AlogP

1.11

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

90.25

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	22663-37-2
NORMAN SUSDAT
PubChem	89785
ChemSpider	81041.0

Resources

Reference

CAS NUMBER

22663-37-2

NORMAN SUSDAT

PubChem

89785

ChemSpider

81041.0

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...

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Last update: Monday, 3 November 2025

1-(4-CHLOROBENZENESULFONYL)UREA

Structure

Physicochemical Descriptors

Cross References