EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	LBV8HX7GMM
EPA CompTox	DTXSID3066762

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

LBV8HX7GMM

EPA CompTox

DTXSID3066762


InChI Key	DVZMRTJKNJKEGV-UHFFFAOYSA-N
Smiles	Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N
InChI	InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)

InChI Key

DVZMRTJKNJKEGV-UHFFFAOYSA-N

Smiles

Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N

InChI

InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)

Property Name	Value
Molecular Formula	C6H6Cl2N2O2S1
Molecular Weight	239.95
AlogP	1.22
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	86.18
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C6H6Cl2N2O2S1

Molecular Weight

239.95

AlogP

1.22

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

86.18

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	22134-75-4
NORMAN SUSDAT
FDA SRS	LBV8HX7GMM
PubChem	89607
ChemSpider	80795.0

Resources

Reference

CAS NUMBER

22134-75-4

NORMAN SUSDAT

FDA SRS

LBV8HX7GMM

PubChem

89607

ChemSpider

80795.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BENZENESULFONAMIDE, 4-AMINO-3,5-DICHLORO-

Structure

Physicochemical Descriptors

Cross References