Home/Chemicals/57-66-9

Chemical substance record

Probenecid

57-66-9C₁₃H₁₉NO₄S285.365 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	57-66-9	ChEBI ↗
Molecular formula	C₁₃H₁₉NO₄S	ChEBI ↗
Molar mass	285.365 g/mol	ChEBI ↗
Monoisotopic mass	285.10348 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:8426	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	285.36 g/mol	PubChem ↗
Exact mass	285.10347926 Da	PubChem ↗
Computed XLogP	3.2	PubChem ↗
Topological polar surface area (Å²)	83.1	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	5	PubChem ↗
Rotatable bonds	7	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

probenecid

IUPAC name

4-(dipropylsulfamoyl)benzoic acid

InChIKey

DBABZHXKTCFAPX-UHFFFAOYSA-N

SMILES

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1

InChI

InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)

Names & synonyms

4-(dipropylsulfamoyl)benzoic acidprobenecidaprobenecideprobenecidum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

benzoic acidsChEBI parent class · 22723 ↗sulfonamideChEBI parent class · 35358 ↗

carboxylic acid organosulfur compound organic molecular entity

Roles recorded in ChEBI

antiviral agentrenoprotective agentantibacterial agentantiinfective agenthypoglycemic agentcardiovascular drugantineoplastic agenturicosuric druggout suppressantneuroprotective agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00350428 mol

Uses 285.365 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 13 atoms

54.72%

O

Oxygen · 4 atoms

22.43%

S

Sulfur · 1 atom

11.24%

H

Hydrogen · 19 atoms

6.71%

N

Nitrogen · 1 atom

4.91%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Probenecid is a chemosensitizer in cancer cell lines. ↗Cancer chemotherapy and pharmacology · 2012 Feb · PMID 21861129

The history and future of probenecid. ↗Cardiovascular toxicology · 2012 Mar · PMID 21938493

US2608507 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:8426

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 4911 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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