EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	U9363D8R2T
EPA CompTox	DTXSID80177941

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

U9363D8R2T

EPA CompTox

DTXSID80177941


InChI Key	YWXVGSRRJLYMHX-UHFFFAOYSA-N
Smiles	Cc1c(NC(=O)c2cc(c(Cl)cc2N)S(=O)(=O)N)cccc1
InChI	InChI=1S/C14H14ClN3O3S/c1-8-4-2-3-5-12(8)18-14(19)9-6-13(22(17,20)21)10(15)7-11(9)16/h2-7H,16H2,1H3,(H,18,19)(H2,17,20,21)

InChI Key

YWXVGSRRJLYMHX-UHFFFAOYSA-N

Smiles

Cc1c(NC(=O)c2cc(c(Cl)cc2N)S(=O)(=O)N)cccc1

InChI

InChI=1S/C14H14ClN3O3S/c1-8-4-2-3-5-12(8)18-14(19)9-6-13(22(17,20)21)10(15)7-11(9)16/h2-7H,16H2,1H3,(H,18,19)(H2,17,20,21)

Property Name	Value
Molecular Formula	C14H14Cl1N3O3S1
Molecular Weight	339.04
AlogP	2.51
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	118.77
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C14H14Cl1N3O3S1

Molecular Weight

339.04

AlogP

2.51

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

118.77

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	23380-54-3
NORMAN SUSDAT
FDA SRS	U9363D8R2T
PubChem	90079
ChemSpider	81319.0

Resources

Reference

CAS NUMBER

23380-54-3

NORMAN SUSDAT

FDA SRS

U9363D8R2T

PubChem

90079

ChemSpider

81319.0

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

2-AMINO-4-CHLORO-N-(2-METHYLPHENYL)-5-SULFAMOYLBENZAMIDE

Structure

Physicochemical Descriptors

Cross References