EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4YSI0ZY4W9
EPA CompTox	DTXSID60162537

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4YSI0ZY4W9

EPA CompTox

DTXSID60162537


InChI Key	UPCBSVILVWKHIG-UHFFFAOYSA-N
Smiles	c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)NC(=O)NCO)C(=O)O
InChI	InChI=1S/C16H15N3O7S/c20-9-17-16(24)19-27(25,26)11-7-5-10(6-8-11)18-14(21)12-3-1-2-4-13(12)15(22)23/h1-8,20H,9H2,(H,18,21)(H,22,23)(H2,17,19,24)

InChI Key

UPCBSVILVWKHIG-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)NC(=O)NCO)C(=O)O

InChI

InChI=1S/C16H15N3O7S/c20-9-17-16(24)19-27(25,26)11-7-5-10(6-8-11)18-14(21)12-3-1-2-4-13(12)15(22)23/h1-8,20H,9H2,(H,18,21)(H,22,23)(H2,17,19,24)

Property Name	Value
Molecular Formula	C16H15N3O7S1
Molecular Weight	393.06
AlogP	0.78
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	6.0
Polar Surface Area	165.39
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C16H15N3O7S1

Molecular Weight

393.06

AlogP

0.78

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

6.0

Polar Surface Area

165.39

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	14376-16-0
NORMAN SUSDAT
FDA SRS	4YSI0ZY4W9
PubChem	65610
ChemSpider	59051.0

Resources

Reference

CAS NUMBER

14376-16-0

NORMAN SUSDAT

FDA SRS

4YSI0ZY4W9

PubChem

65610

ChemSpider

59051.0

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...

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

Last update: Monday, 3 November 2025

SULFALOXIC ACID

Structure

Physicochemical Descriptors

Cross References