Monoacetyldapsone

C14H14N2O3S — CID 11257

IUPACN-[4-(4-aminophenyl)sulfonylphenyl]acetamide
SMILESCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChIInChI=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)
InChIKeyWDOCBIHNYYQINH-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.90
Rot. Bonds3

About Monoacetyldapsone

Monoacetyldapsone (PubChem CID 11257) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameMonoacetyldapsone
PubChem CID11257
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[4-(4-aminophenyl)sulfonylphenyl]acetamide
SMILESCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChIInChI=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)
InChIKeyWDOCBIHNYYQINH-UHFFFAOYSA-N
XLogP0.90
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity428

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Dapsone
CID 2955
N4-Acetylsulfanilamide
CID 8482
Acedapsone
CID 6477
N-Acetylsulfanilyl chloride
CID 8481
Sulfanitran
CID 5334
Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
Acediasulfone
CID 66451
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
4'-Mercaptoacetanilide
CID 70777
Succisulfone
CID 68350
2-cyano-N-(4-sulfamoylphenyl)acetamide
CID 2357187

Frequently Asked Questions

What is the IUPAC name of Monoacetyldapsone?
The IUPAC name of Monoacetyldapsone (CID 11257) is N-[4-(4-aminophenyl)sulfonylphenyl]acetamide.
What is the SMILES notation for Monoacetyldapsone?
The canonical SMILES for Monoacetyldapsone is CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N.
What is the InChIKey of Monoacetyldapsone?
The InChIKey is WDOCBIHNYYQINH-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of Monoacetyldapsone?
Monoacetyldapsone has a molecular weight of 290.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Monoacetyldapsone is sourced from PubChem (CID 11257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).