[2-(tert-butylsulfamoyl)phenyl]boronic acid (CED0129040)

Record Information

Version

1.0

Creation Date

2026-08-18 01:48:42 UTC

Update Date

2026-08-18 01:48:42 UTC

SynCED ID

CED0129040

Secondary Accession Numbers

CHEM147823

Identification

Common Name

[2-(tert-butylsulfamoyl)phenyl]boronic acid

Class

Small Molecule

Description

[2-(tert-butylsulfamoyl)phenyl]boronic acid belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C10H16BNO4S and an average molecular weight of 257.12 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₆BNO₄S

Average Molecular Mass

257.120 g/mol

Monoisotopic Mass

257.089 g/mol

CAS Registry Number

150691-04-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-7-5-4-6-8(9)11(13)14/h4-7,12-14H,1-3H3

InChI Key

TUEIURIZJQRMQE-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
3678.0 Log mg/kg [2100:6500]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000699	Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.	Mining & metal processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.32 Statistical Significance 0.0626 Supporting Reference Compounds 472 E-value 487.57
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.32 Statistical Significance 0.0451 Supporting Reference Compounds 332 E-value 351.411
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.32 Statistical Significance 0.0564 Supporting Reference Compounds 407 E-value 439.381
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.32 Statistical Significance 0.0565 Supporting Reference Compounds 372 E-value 439.926
Click to view 3D structure	Cytochrome b-c1 complex subunit 7	P14927	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.311 Statistical Significance 0.0025 Supporting Reference Compounds 2 E-value 19.2288
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.289 Low confidence Statistical Significance 0.0399 Supporting Reference Compounds 242 E-value 310.307
Click to view 3D structure	Acetolactate synthase	Q8S3J0	Bromus tectorum	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.269 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 1 E-value 9.26406
Click to view 3D structure	Kinesin-like protein KIF18A	Q91WD7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.265 Low confidence Statistical Significance 9.60e-04 Supporting Reference Compounds 1 E-value 7.47353
Click to view 3D structure	Phosphoinositide 3-kinase regulatory subunit 4	Q99570	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.259 Low confidence Statistical Significance 3.20e-04 Supporting Reference Compounds 1 E-value 2.49118
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.289 Low confidence Statistical Significance 0.0343 Supporting Reference Compounds 151 E-value 267.334
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.255 Low confidence Statistical Significance 0.1488 Supporting Reference Compounds 400 E-value 1158.4
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.255 Low confidence Statistical Significance 0.0876 Supporting Reference Compounds 176 E-value 682.193
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.255 Low confidence Statistical Significance 0.1359 Supporting Reference Compounds 292 E-value 1058.28
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.255 Low confidence Statistical Significance 0.1219 Supporting Reference Compounds 269 E-value 948.671
Click to view 3D structure	Macrophage metalloelastase	P39900	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.255 Low confidence Statistical Significance 0.0857 Supporting Reference Compounds 136 E-value 667.324
Click to view 3D structure	Matrix metalloproteinase-16	P51512	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.255 Low confidence Statistical Significance 0.0186 Supporting Reference Compounds 29 E-value 144.488
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.289 Low confidence Statistical Significance 0.0092 Supporting Reference Compounds 43 E-value 71.6991
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.289 Low confidence Statistical Significance 0.0092 Supporting Reference Compounds 41 E-value 71.6991
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.275 Low confidence Statistical Significance 0.0284 Supporting Reference Compounds 102 E-value 221.481
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.289 Low confidence Statistical Significance 0.0099 Supporting Reference Compounds 44 E-value 76.8372
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.278 Low confidence Statistical Significance 0.0273 Supporting Reference Compounds 64 E-value 212.606
Click to view 3D structure	Bromodomain-containing protein 4	O60885	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.259 Low confidence Statistical Significance 0.1051 Supporting Reference Compounds 237 E-value 818.04
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.255 Low confidence Statistical Significance 0.1001 Supporting Reference Compounds 198 E-value 779.504
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.278 Low confidence Statistical Significance 0.0269 Supporting Reference Compounds 68 E-value 209.57
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.275 Low confidence Statistical Significance 0.5495 Supporting Reference Compounds 1245 E-value 4277.97