Basic information
- CAS
565-20-8- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1- InChIKey
WDOCBIHNYYQINH-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3S
- Average molar mass
- 290.34 g/mol
- Monoisotopic mass
- 290.07251349
Overview
Monoacetyldapsone is a secondary carboxamide resulting from acetylation of one of the amino groups of dapsone. It is an anilide, a secondary carboxamide, a member of acetamides and a sulfone. It is functionally related to a dapsone.
Names & identifiers
- Preferred name
- Monoacetyldapsone
- IUPAC
- N-[4-(4-aminophenyl)sulfonylphenyl]acetamide
- English name
- N-Monoacetyl-4,4'-diaminodiphenyl sulfone
- Molecular formula
- C14H14N2O3S
- Molecular weight
- 290.34
Names & synonyms
Monoacetyldapsone565-20-8MADDSN-AcetyldapsoneAcetyldapsone4'-Sulfanilylacetanilidemonoacetyl dapsoneN-(4-((4-Aminophenyl)sulfonyl)phenyl)acetamideA4YKS8ULCNAcetamide, N-(4-((4-aminophenyl)sulfonyl)phenyl)-CHEBI:139473NSC-27184
Show more names
ACETYL DAPSONEMonoacetyldapsonN-acetyle Dapsone D8N-Acetyldapsone, MADDS4’-sulfanilyl-acetanilid4’-sulfanilylacetanilide
DTXSID70205040Acetamide, N-[4-[(4-aminophenyl)sulfonyl]phenyl]-N-{4-[(4-aminophenyl)sulfonyl]phenyl}acetamideN-(4-[(4-Aminophenyl)sulfonyl]phenyl)acetamideN-[4-[(4-aminophenyl)sulfonyl]phenyl]acetamidemonoacetyl-diaminodiphenylsulfone4-acetamido-phenyl-4'-aminophenyl sulfoneRefChem:819256
Database identifiers
- CAS
565-20-8- PubChem CID
- 11257
- DTXSID
DTXSID70205040- ChEMBL
CHEMBL1246
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
Collision Cross Section
162.16 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
170.42 Ų [M+H]+
Physicochemical properties
- Melting point
- 238 · 238-240°C
- Boiling point
- 589.5 · 589.5±35.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetonitrile (Slightly, Heated), DMSO (Slightly, Heated), Methanol (Slightly)
- form
- Solid
- pka
- 14.21 · 14.21±0.70(Predicted)
- color
- white
- InChI
- InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)
- InChIKey
- WDOCBIHNYYQINH-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=C(S(C2=CC=C(N)C=C2)(=O)=O)C=C1)(=O)C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 2
- rtecs
- AE7020000
- hs_code
- 2930909899
- risk_code
- 37/38-41-43
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H335-H318-H317-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Pharmacology
Metabolism/MetabolitesMonoacetyldapsone is a known human metabolite of dapsone.
MeSH Pharmacological ClassificationSubstances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Applications
UsesA metabolite of Dapsone (D193250).
Suppliers47 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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