Sulfamoxole (CED0019347)

Record Information

Version

1.0

Creation Date

2016-05-25 03:16:17 UTC

Update Date

2026-08-18 09:32:01 UTC

Accession Number

CHEM021225

Identification

Common Name

Sulfamoxole

Class

Small Molecule

Description

Sulfamoxole is an organic compound with the formula C11H13N3O3S and an average molecular weight of 267.30 g/mol. Sulfamoxole belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. It acts as an inhibitor of the protein target dihydropteroate synthase. The compound is identified in four recorded sources, including antibiotics from healthcare, pharmaceuticals, and veterinary products, as well as household cleaning and consumer products such as soap detergents, bleaching agents, and tobacco smoke filters. Recorded exposure routes for sulfamoxole include oral and inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-(p-Aminobenzenesulfonamido)-4,5-dimethyloxazole	ChEBI
2-(p-Aminobenzolsulfonamido)-4,5-dimethyloxazol	ChEBI
4,5-Dimethyl-2-sulfanilamidooxazole	ChEBI
4-Amino-N-(4,5-dimethyl-2-oxazolyl)benzenesulfonamide	ChEBI
N1-(4,5-Dimethyl-2-oxazolyl)sulfanilamide	ChEBI
Oxasulfa	ChEBI
p-Aminobenzenesulfonyl-2-amino-4,5-dimethyloxazole	ChEBI
Sulfadimethyloxazole	ChEBI
Sulfamoxol	ChEBI
Sulfamoxolum	ChEBI
Sulphamoxole	ChEBI
2-(p-Aminobenzenesulphonamido)-4,5-dimethyloxazole	Generator
2-(p-Aminobenzolsulphonamido)-4,5-dimethyloxazol	Generator
4,5-Dimethyl-2-sulphanilamidooxazole	Generator
4-Amino-N-(4,5-dimethyl-2-oxazolyl)benzenesulphonamide	Generator
N1-(4,5-Dimethyl-2-oxazolyl)sulphanilamide	Generator
Oxasulpha	Generator
p-Aminobenzenesulphonyl-2-amino-4,5-dimethyloxazole	Generator
Sulphadimethyloxazole	Generator
Sulphamoxol	Generator
Sulphamoxolum	Generator
Sulfono	HMDB

Chemical Formula

C₁₁H₁₃N₃O₃S

Average Molecular Mass

267.304 g/mol

Monoisotopic Mass

267.068 g/mol

CAS Registry Number

729-99-7

IUPAC Name

4-amino-N-(dimethyl-1,3-oxazol-2-yl)benzene-1-sulfonamide

Traditional Name

sulfamoxole

SMILES

CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1

InChI Identifier

InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)

InChI Key

CYFLXLSBHQBMFT-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
2,4,5-trisubstituted 1,3-oxazole
Aniline or substituted anilines
Organosulfonic acid amide
Azole
Oxazole
Organic sulfonic acid or derivatives
Organosulfonic acid or derivatives
Sulfonyl
Aminosulfonyl compound
Heteroaromatic compound
Organoheterocyclic compound
Azacycle
Oxacycle
Organic nitrogen compound
Organopnictogen compound
Organic oxygen compound
Primary amine
Amine
Organosulfur compound
Organonitrogen compound
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

sulfonamide (CHEBI:55548 )
sulfonamide antibiotic (CHEBI:55548 )
oxazole (CHEBI:55548 )

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

Property	Value	Source
Water Solubility	0.27 g/L	ALOGPS
logP	1.04	ALOGPS
logP	0.59	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	6.81	ChemAxon
pKa (Strongest Basic)	1.94	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	98.22 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	67.51 m³·mol⁻¹	ChemAxon
Polarizability	27.44 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0903-9520000000-b17afcbf8fbe531fe5f3	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-3900000000-23eed4bc89bcf24079bd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-066r-0960000000-5324e421d0898ec1099e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-07bf-9500000000-9e755c5d161870e20cc1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0bt9-4900000000-f0d6577fe251f478a2b3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-05mo-9600000000-656e8ab90054a33c8a96	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-066u-9400000000-4d435cd7a788a59f537f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-9100000000-8c8c9b24422573071135	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-05mo-9300000000-6e87579d1c4dcc3385d3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-066u-9400000000-328720644b3d39690ea8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-9000000000-70248a5e493d759c8908	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-9000000000-2d46e7d146924e2cc1ca	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-9100000000-b69806557c6ee27e2cf5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014l-9200000000-8def04b9696db2663618	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0900000000-b95f9545732c76bf65ef	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0btc-6900000000-747f05ef6971ea73b013	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0bt9-4900000000-78c0ee8433765de7a021	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0btc-9800000000-21eddbd29f724651aeea	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0910000000-66e1d1317255c54345a9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-1900000000-c35120697abf544edf88	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0cdl-4910000000-3565f92945beee87d500	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-9200000000-56adb8453dd4fd6db09a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-9000000000-b5c7cb13c84fce471ead	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-066r-0960000000-e8d0e76786897571027f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0btc-3900000000-79f667d0183b340c9969	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0910000000-99306c96d86486b0e4b6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0bt9-2900000000-8744882acb584a9c5181	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0aor-0940000000-7a8a685dcc7432ac422f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-066r-0960000000-e6e094feb6c9799b5a40	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0btc-4900000000-a08b7dfdfb6dd5530bc7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0btc-5900000000-60a199875907c58ad72b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-1900000000-ceda73d5ce2d2f859f3c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0290000000-251d6233422d401c31c7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-07bf-9500000000-c514e732346e8e198a8f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-07bf-9700000000-ae1aea274f6773ccc615	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0920000000-7a128dfca7f86447ecdd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-059x-9400000000-7deb01de644d64377a6b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0aou-4940000000-998dc2b59c93b37803f9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-06r6-7900000000-4b62af378187534661db	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-06r6-9800000000-8d90a1b8130251358e13	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0900000000-9b78bd4d0cd3ea3f11d7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0btc-4900000000-edc1c2b3ab0efe6c78b2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-3900000000-27d28159bb6a099ecfd7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0900000000-239ea11e757b4a286776	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-05mo-9300000000-04352c9435a1a0e954c5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0btc-4900000000-879c3949ce211b2acfb6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-9100000000-f25ee58608fddc65649e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0gi0-0590000000-b63b59b327f5e5fee30d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-2920000000-e352f9ce158638c8d63a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ftf-9110000000-06f8a9a3d0a07b30754f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0190000000-4d3645049982bea395a3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-2930000000-178776a8f92cbb18ce74	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002f-9400000000-aa4062cd0b19cdf35d94	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0aor-0930000000-0dc385205fa657f90582	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-3910000000-2b2405fc4c4768f4ae18	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014l-9100000000-2e1b4513d529e6d6ecfb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0290000000-564c8b01155020afb0f2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0600-1920000000-e425d352ca2c309e8550	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-9300000000-07ca788e1078b25db6a2	Not Available	View Spectrum

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
5833.0	Log mg/kg	[3300:10000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
306	Antibiotics	Healthcare, pharmaceuticals & veterinary products	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
596	Acaricides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
632	Apparel	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 9	Q16790	Humans	Predicted (SEA)	61.968
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	81.586
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	72.8669
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	21.7199
Click to view 3D structure	AGAP002992-PA	Q5TU56	Anopheles gambiae	Predicted (SEA)	5.0602
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	10.8989
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	86.1791
Click to view 3D structure	Delta carbonic anhydrase	Q5U9J1	Conticribra weissflogii	Predicted (SEA)	11.6774
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	34.6429
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	16.8933
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	16.8154
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	17.5161
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	25.7681
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	16.5819
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	20.3186
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	16.8154
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	23.4326
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	16.5819
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	25.5345
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	46.6317
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	63.2914
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	199.06
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	71.8548
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	99.4913
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	18.606