EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CN52HES8UV
EPA CompTox	DTXSID5067180

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CN52HES8UV

EPA CompTox

DTXSID5067180


InChI Key	AGRDPCWQGGNEQL-UHFFFAOYSA-N
Smiles	CC(C)NS(=O)(=O)Cl
InChI	InChI=1S/C3H8ClNO2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3

InChI Key

AGRDPCWQGGNEQL-UHFFFAOYSA-N

Smiles

CC(C)NS(=O)(=O)Cl

InChI

InChI=1S/C3H8ClNO2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3

Property Name	Value
Molecular Formula	C3H8Cl1N1O2S1
Molecular Weight	157.0
AlogP	0.47
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	46.17
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C3H8Cl1N1O2S1

Molecular Weight

157.0

AlogP

0.47

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

46.17

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	26118-67-2
NORMAN SUSDAT
FDA SRS	CN52HES8UV
PubChem	117737
ChemSpider	105216.0

Resources

Reference

CAS NUMBER

26118-67-2

NORMAN SUSDAT

FDA SRS

CN52HES8UV

PubChem

117737

ChemSpider

105216.0

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

SULFAMOYL CHLORIDE, (1-METHYLETHYL)-

Structure

Physicochemical Descriptors

Cross References