EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YAD994784Q
EPA CompTox	DTXSID6067753

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YAD994784Q

EPA CompTox

DTXSID6067753


InChI Key	ANEIGMLCYCZUCH-UHFFFAOYSA-N
Smiles	CCCCCCCCCCNS(=O)(=O)c1ccccc1N
InChI	InChI=1S/C16H28N2O2S/c1-2-3-4-5-6-7-8-11-14-18-21(19,20)16-13-10-9-12-15(16)17/h9-10,12-13,18H,2-8,11,14,17H2,1H3

InChI Key

ANEIGMLCYCZUCH-UHFFFAOYSA-N

Smiles

CCCCCCCCCCNS(=O)(=O)c1ccccc1N

InChI

InChI=1S/C16H28N2O2S/c1-2-3-4-5-6-7-8-11-14-18-21(19,20)16-13-10-9-12-15(16)17/h9-10,12-13,18H,2-8,11,14,17H2,1H3

Property Name	Value
Molecular Formula	C16H28N2O2S1
Molecular Weight	312.19
AlogP	3.69
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	72.19
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H28N2O2S1

Molecular Weight

312.19

AlogP

3.69

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

11.0

Polar Surface Area

72.19

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	33214-32-3
NORMAN SUSDAT
FDA SRS	YAD994784Q
PubChem	118410
ChemSpider	105829.0

Resources

Reference

CAS NUMBER

33214-32-3

NORMAN SUSDAT

FDA SRS

YAD994784Q

PubChem

118410

ChemSpider

105829.0

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, 2-AMINO-N-DECYL-

Structure

Physicochemical Descriptors

Cross References