CAS 565-20-8|4-(Acetamido)-4'-aminobiphenyl sulphone|N-[4-(4-aminobenzenesulfonyl)phenyl]acetamide|N-{4-[(4-Aminobenzene)sulphonyl]phenyl}acetamide|N-[4-(4-aminobenzenesulfonyl)phenyl]acetamide|N-Ac...

General Information

Structure

Molecular Formula

C₁₄H₁₄N₂O₃S

Molecular Mass

290.33756

Exact Mass

290.07251332

Charge

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

Canonic Smiles

CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N

Isomeric Smiles

S(=O)(=O)(c1ccc(cc1)NC(=O)C)c1ccc(cc1)N

Calculated Properties

JChem

LogD (pH = 7.4)

1.34

LogD (pH = 5.5)

1.34

Log P

1.34

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

2.03

Polar Surface Area

89.26

Polarizability

29.72

Molar Refractivity

79.15

LOG S

-3.20

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-(Acetamido)-4'-aminobiphenyl sulphoneN-{4-[(4-Aminobenzene)sulphonyl]phenyl}acetamideN-Acetyl DapsoneAcetyldapsoneMonoacetyldapsoneMono-N-acetyl-4-4′-sulfonylbisbenzeneamineMonoacetyldapsoneMADDSN-[4-[(4-Aminophenyl)sulfonyl]phenyl]-acetamideN-acetyl-4,4'-diaminodiphenyl sulfoneacetyldapsone4'-sulfanilylacetanilidemonoacetyl dapsonemonoacetyldapsoneMADDSN-acetyldapsonemonoacetyl-dapsonemonoacetyldapsoneN-{4-[(4-aminophenyl)sulfonyl]phenyl}acetamideN-[4-[(4-aminophenyl)sulfonyl]phenyl]acetamideN-(4-((4-aminophenyl)sulfonyl)phenyl)acetamide

IUPAC name

N-[4-(4-aminobenzenesulfonyl)phenyl]acetamide

IUPAC Traditional name

N-[4-(4-aminobenzenesulfonyl)phenyl]acetamide monoacetyldapsone

Names and Identifiers

Registration numbers

CAS Number

565-20-8

MDL Number

MFCD00672496

PubChem CID

11257