N-(4-aminophenyl)sulfonyl-n-(trichloromethylsulfanyl)acetamide (CED0316295)

Record Information

Version

1.0

Creation Date

2026-09-01 17:31:05 UTC

Update Date

2026-09-01 17:31:05 UTC

SynCED ID

CED0316295

Secondary Accession Numbers

CHEM362268

Identification

Common Name

N-(4-aminophenyl)sulfonyl-n-(trichloromethylsulfanyl)acetamide

Class

Small Molecule

Description

N-(4-aminophenyl)sulfonyl-n-(trichloromethylsulfanyl)acetamide is a chemical compound with the formula C9H9Cl3N2O3S2. It has an average molecular weight of 363.70 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₉Cl₃N₂O₃S₂

Average Molecular Mass

Not Available

Monoisotopic Mass

361.912 g/mol

CAS Registry Number

99055-22-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=O)N(SC(Cl)(Cl)Cl)S(=O)(=O)C1=CC=C(C=C1)N

InChI Identifier

InChI=1S/C9H9Cl3N2O3S2/c1-6(15)14(18-9(10,11)12)19(16,17)8-4-2-7(13)3-5-8/h2-5H,13H2,1H3

InChI Key

RIMDANRSXVIWIN-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
5545.0 Log mg/kg [3100:9900]	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
No Sources linked to this compound

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 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.351 Statistical Significance 0.0385 Supporting Reference Compounds 372 E-value 300.109
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.351 Statistical Significance 0.051 Supporting Reference Compounds 472 E-value 397.109
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.351 Statistical Significance 0.0422 Supporting Reference Compounds 407 E-value 328.368
Click to view 3D structure	Organic anion transporter 3	O88909	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.292 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 1 E-value 8.48557
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.351 Statistical Significance 0.0431 Supporting Reference Compounds 332 E-value 335.374
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.351 Statistical Significance 0.0124 Supporting Reference Compounds 64 E-value 96.6109
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.351 Statistical Significance 0.0293 Supporting Reference Compounds 242 E-value 228.487
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.351 Statistical Significance 0.0189 Supporting Reference Compounds 157 E-value 147.369
Click to view 3D structure	Delta carbonic anhydrase	Q5U9J1	Conticribra weissflogii	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.351 Statistical Significance 0.0058 Supporting Reference Compounds 35 E-value 45.2304
Click to view 3D structure	AGAP002992-PA	Q5TU56	Anopheles gambiae	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.351 Statistical Significance 0.005 Supporting Reference Compounds 30 E-value 39.0025
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.351 Statistical Significance 0.0099 Supporting Reference Compounds 70 E-value 77.0707
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.351 Statistical Significance 0.0278 Supporting Reference Compounds 172 E-value 216.654
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.351 Statistical Significance 0.02 Supporting Reference Compounds 151 E-value 156.01
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.351 Statistical Significance 0.0124 Supporting Reference Compounds 78 E-value 96.2995
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.351 Statistical Significance 0.0062 Supporting Reference Compounds 40 E-value 48.6558
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.351 Statistical Significance 0.0066 Supporting Reference Compounds 44 E-value 51.3805
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.351 Statistical Significance 0.0064 Supporting Reference Compounds 38 E-value 50.1349
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.351 Statistical Significance 0.0108 Supporting Reference Compounds 46 E-value 84.3107
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.351 Statistical Significance 0.0062 Supporting Reference Compounds 43 E-value 48.1108
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.351 Statistical Significance 0.01 Supporting Reference Compounds 60 E-value 77.5378
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.351 Statistical Significance 0.0062 Supporting Reference Compounds 41 E-value 48.6558
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.351 Statistical Significance 0.0122 Supporting Reference Compounds 68 E-value 94.6646
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.351 Statistical Significance 0.0062 Supporting Reference Compounds 41 E-value 48.1108
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.351 Statistical Significance 0.0107 Supporting Reference Compounds 55 E-value 83.2208
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.351 Statistical Significance 0.0276 Supporting Reference Compounds 193 E-value 215.097