Acetylsulfapyridine

HCID 58638
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Basic information

CAS
19077-98-6
Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIKey
CYLYVXPHAQLXFG-UHFFFAOYSA-N
Molecular formula
C13H13N3O3S
Average molar mass
291.33 g/mol
Monoisotopic mass
291.06776246

Names & identifiers

Preferred name
Acetylsulfapyridine
IUPAC
N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
English name
4'-(2-pyridylsulphamoyl)acetanilide
Molecular formula
C13H13N3O3S
Molecular weight
291.33

Names & synonyms

19077-98-6AcetylsulfapyridineN4-AcetylsulfapyridineN-AcetylsulfapyridineAcetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-3CM4B5MZJPAcetylsulphapyridineAcetanilide, 4'-(2-pyridylsulfamoyl)-Acetamide, N-(4-((2-pyridinylamino)sulfonyl)phenyl)-DTXSID5066453N-[4-(2-pyridylsulfamoyl)phenyl]acetamideN-(4-(2-pyridylsulfamoyl)phenyl)acetamide
Show more names
Ccris 6818Brn 0269306Sulfapyridine N-Acetyl Impurity2-(N4-Acetylsulfanilamide)pyridine4'-(2-Pyridylsulfamoyl)acetanilide2-(N4-ACETYLSULPHANILAMIDO)PYRIDINE
RefChem:109195DTXCID5036006242-802-5N-Acetyl SulfapyridineN-(4-(N-(Pyridin-2-yl)sulfamoyl)phenyl)acetamideN-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide2-(N4-Acetylsulfanilamido)pyridineN-{4-[(pyridin-2-yl)sulfamoyl]phenyl}acetamide

Database identifiers

CAS
19077-98-6
PubChem CID
58638
DTXSID
DTXSID5066453
ChEMBL
CHEMBL1507581
ChEBI
CHEBI:165191
UNII
3CM4B5MZJP
EC Number
242-802-5
Nikkaji
J43.364K

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
96.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20

Physicochemical properties

Melting point
226 · 226-228C
Density
1.3362 · 1.3362 (rough estimate)
refractive index
1.674 · 1.6740 (estimate)
storage temp.
Refrigerator
solubility
DMSO (Slightly), Methanol (Slightly)
pka
8.27 · 8.27±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)

Safety data

wgk
3
tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H302
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Chemistry & industry

Pharmacology

Metabolism/MetabolitesSulfapyridine, N-acetyl is a known human metabolite of Sulfapyridine.

Uses & manufacturing

General Manufacturing InformationAcetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-: INACTIVE

Applications

UsesA major active metabolite related to the adverse effects of Sulfasalazine in human serum.

Suppliers11 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]

Additional notes

DefinitionChEBI: N4-Acetylsulfapyridine is a sulfonamide.

Related reactions

1 records
New reaction record

Compound notes

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