Sulfapyrazine (CED0024746)

Record Information

Version

1.0

Creation Date

2026-03-31 21:22:42 UTC

Update Date

2026-08-17 21:30:37 UTC

Accession Number

CHEM057999

Identification

Common Name

Sulfapyrazine

Class

Small Molecule

Description

Sulfapyrazine is an organic compound with the formula C10H10N4O2S1 and an average molecular weight of 250.28 g/mol. Sulfapyrazine belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. It is recorded as being released from or found in two sources: household cleaning and consumer products, specifically soap detergents, and healthcare, pharmaceuticals, and veterinary products, specifically antibiotics. Exposure to the compound can occur through oral or inhalation routes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Sulphapyrazine	Generator

Chemical Formula

C₁₀H₁₀N₄O₂S₁

Average Molecular Mass

250.280 g/mol

Monoisotopic Mass

250.052 g/mol

CAS Registry Number

116-44-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CN=C1

InChI Identifier

InChI=1S/C10H10N4O2S/c11-8-1-3-9(4-2-8)17(15,16)14-10-7-12-5-6-13-10/h1-7H,11H2,(H,13,14)

InChI Key

YEAICDDXRUOCKJ-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
Benzenesulfonyl group
Aniline or substituted anilines
Pyrazine
Organosulfonic acid amide
Imidolactam
Organic sulfonic acid or derivatives
Organosulfonic acid or derivatives
Sulfonyl
Aminosulfonyl compound
Heteroaromatic compound
Organoheterocyclic compound
Azacycle
Organonitrogen compound
Organopnictogen compound
Organic nitrogen compound
Amine
Organic oxygen compound
Primary amine
Organic oxide
Hydrocarbon derivative
Organosulfur compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
3010.0	Log mg/kg	[1700:5400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
306	Antibiotics	Healthcare, pharmaceuticals & veterinary products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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 4	Q95323	Bos taurus	Predicted (SEA)	16.1926
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	50.1349
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	64.7706
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	57.5306
Click to view 3D structure	AGAP002992-PA	Q5TU56	Anopheles gambiae	Predicted (SEA)	3.34752
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	7.78492
Click to view 3D structure	Delta carbonic anhydrase	Q5U9J1	Conticribra weissflogii	Predicted (SEA)	7.78492
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	73.4897
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	24.4447
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	11.0546
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	11.8331
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	12.6894
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	16.9711
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	10.4318
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	12.8451
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	11.0546
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	15.1806
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	10.4318
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	17.7496
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	35.8106
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	42.1164
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	12.378
Click to view 3D structure	Carbonic anhydrase 2	P9WPJ9	Mycobacterium tuberculosis	Predicted (SEA)	3.73676
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	71.3099
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	26.5466