EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CY351D07GJ

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CY351D07GJ


InChI Key	KKKNDDLZEGDARS-UHFFFAOYSA-N
Smiles	N[S](=O)(=O)c1cc(c(NCc2occc2)cc1Oc3ccccc3)[S](O)(=O)=O
InChI	InChI=1S/C17H16N2O7S2/c18-27(20,21)17-10-16(28(22,23)24)14(19-11-13-7-4-8-25-13)9-15(17)26-12-5-2-1-3-6-12/h1-10,19H,11H2,(H2,18,20,21)(H,22,23,24)

InChI Key

KKKNDDLZEGDARS-UHFFFAOYSA-N

Smiles

N[S](=O)(=O)c1cc(c(NCc2occc2)cc1Oc3ccccc3)[S](O)(=O)=O

InChI

InChI=1S/C17H16N2O7S2/c18-27(20,21)17-10-16(28(22,23)24)14(19-11-13-7-4-8-25-13)9-15(17)26-12-5-2-1-3-6-12/h1-10,19H,11H2,(H2,18,20,21)(H,22,23,24)

Property Name	Value
Molecular Formula	C17H16N2O7S2
Molecular Weight	424.04
AlogP	2.58
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	148.93
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C17H16N2O7S2

Molecular Weight

424.04

AlogP

2.58

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

148.93

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	82666-62-4
NORMAN SUSDAT
FDA SRS	CY351D07GJ

Resources

Reference

CAS NUMBER

82666-62-4

NORMAN SUSDAT

FDA SRS

CY351D07GJ

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...

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

Last update: Monday, 3 November 2025

SULOSEMIDE

Structure

Physicochemical Descriptors

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