N1-Methyl-N4-sulfanilylsulfanilamide (CED0148884)

Record Information

Version

1.0

Creation Date

2026-03-31 21:26:04 UTC

Update Date

2026-05-20 19:30:15 UTC

SynCED ID

CED0148884

Secondary Accession Numbers

CHEM058008

Identification

Common Name

N1-Methyl-N4-sulfanilylsulfanilamide

Class

Small Molecule

Description

N1-Methyl-N4-sulfanilylsulfanilamide is an organic compound with the chemical formula C13H15N3O4S2. N1-Methyl-N4-sulfanilylsulfanilamide belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This compound is categorized as a benzenoid. It is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically antibiotics. Recorded exposure routes for this substance include oral and inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₁₅N₃O₄S₂

Average Molecular Mass

Not Available

Monoisotopic Mass

341.050 g/mol

CAS Registry Number

547-53-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C13H15N3O4S2/c1-15-21(17,18)12-8-4-11(5-9-12)16-22(19,20)13-6-2-10(14)3-7-13/h2-9,15-16H,14H2,1H3

InChI Key

VJUSDOIKMJHJPN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzenesulfonamides

Direct Parent

Aminobenzenesulfonamides

Alternative Parents

Substituents

Aminobenzenesulfonamide
Sulfanilide
Benzenesulfonyl group
Aniline or substituted anilines
Organosulfonic acid amide
Organic sulfonic acid or derivatives
Organosulfonic acid or derivatives
Aminosulfonyl compound
Sulfonyl
Amine
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Primary amine
Organosulfur compound
Organonitrogen compound
Organic nitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

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
2403.0 Log mg/kg [1400:4300]	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
CEDs000306	Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000698	Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.	Mining & metal processing	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 0.509 Applicability Domain 0.71 Statistical Significance 0.0014 Supporting Reference Compounds 472 E-value 10.6653
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.509 Applicability Domain 0.71 Statistical Significance 0.0012 Supporting Reference Compounds 407 E-value 9.57545
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.492 Applicability Domain 0.71 Statistical Significance 4.70e-04 Supporting Reference Compounds 64 E-value 3.65891
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.489 Applicability Domain 0.71 Statistical Significance 0.0014 Supporting Reference Compounds 372 E-value 10.821
Click to view 3D structure	AGAP002992-PA	Q5TU56	Anopheles gambiae	Predicted (SEA)	Prediction Confidence Score 0.468 Applicability Domain 0.71 Statistical Significance 5.00e-05 Supporting Reference Compounds 30 E-value 0.389246
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.468 Applicability Domain 0.71 Statistical Significance 2.40e-04 Supporting Reference Compounds 70 E-value 1.86838
Click to view 3D structure	Delta carbonic anhydrase	Q5U9J1	Conticribra weissflogii	Predicted (SEA)	Prediction Confidence Score 0.439 Applicability Domain 0.71 Statistical Significance 2.30e-04 Supporting Reference Compounds 35 E-value 1.79053
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.429 Applicability Domain 0.486 Statistical Significance 0.0035 Supporting Reference Compounds 332 E-value 27.4029
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	Prediction Confidence Score 0.394 Applicability Domain 0.429 Statistical Significance 7.40e-04 Supporting Reference Compounds 40 E-value 5.76084
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.394 Applicability Domain 0.429 Statistical Significance 8.70e-04 Supporting Reference Compounds 44 E-value 6.77288
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.394 Applicability Domain 0.429 Statistical Significance 8.50e-04 Supporting Reference Compounds 38 E-value 6.61718
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.394 Applicability Domain 0.429 Statistical Significance 0.0019 Supporting Reference Compounds 151 E-value 14.6357
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	Prediction Confidence Score 0.394 Applicability Domain 0.429 Statistical Significance 7.40e-04 Supporting Reference Compounds 41 E-value 5.76084
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.394 Applicability Domain 0.429 Statistical Significance 0.0025 Supporting Reference Compounds 157 E-value 19.2288
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.429 Statistical Significance 8.00e-04 Supporting Reference Compounds 60 E-value 6.22794
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.429 Statistical Significance 9.60e-04 Supporting Reference Compounds 68 E-value 7.47353
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.385 Applicability Domain 0.476 Statistical Significance 0.0108 Supporting Reference Compounds 536 E-value 83.9993
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	Prediction Confidence Score 0.383 Applicability Domain 0.429 Statistical Significance 0.0015 Supporting Reference Compounds 46 E-value 11.9109
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.383 Applicability Domain 0.429 Statistical Significance 8.90e-04 Supporting Reference Compounds 43 E-value 6.92858
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.383 Applicability Domain 0.429 Statistical Significance 8.90e-04 Supporting Reference Compounds 41 E-value 6.92858
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.383 Applicability Domain 0.429 Statistical Significance 0.0017 Supporting Reference Compounds 55 E-value 13.3901
Click to view 3D structure	Carbonic anhydrase 2	P00921	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.38 Applicability Domain 0.5 Statistical Significance 8.60e-04 Supporting Reference Compounds 22 E-value 6.69503
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.376 Applicability Domain 0.429 Statistical Significance 0.0037 Supporting Reference Compounds 172 E-value 28.9599
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.374 Applicability Domain 0.419 Statistical Significance 0.0055 Supporting Reference Compounds 242 E-value 42.5057
Click to view 3D structure	Cytochrome b-c1 complex subunit 7	P14927	Humans	Predicted (SEA)	Prediction Confidence Score 0.374 Applicability Domain 0.436 Statistical Significance 1.50e-04 Supporting Reference Compounds 2 E-value 1.16774