CAS 121-60-8|4-acetamidobenzene-1-sulfonyl chloride|p-ACETAMINOBENZENESULFONYL CHLORIDE|4-acetamidobenzene-1-sulfonyl chloride|4-acetamidobenzenesulfonyl chloride|N-乙酰磺胺酰氯|4-乙酰氨基苯磺酰氯|4...

General Information

Structure

Molecular Formula

C₈H₈ClNO₃S

Molecular Mass

233.67202

Exact Mass

232.9913418

Charge

InChI

InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)

InChIKey

GRDXCFKBQWDAJH-UHFFFAOYSA-N

Canonic Smiles

CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

13.388176

H Acceptors

H Donor

LogD (pH = 5.5)

1.1572592

LogD (pH = 7.4)

1.1572587

Log P

1.1572592

Molar Refractivity

55.1152

Polarizability

21.34403

Polar Surface Area

63.24

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-acetamidobenzene-1-sulfonyl chloride

Synonyms

p-ACETAMINOBENZENESULFONYL CHLORIDE4-acetamidobenzene-1-sulfonyl chlorideN-乙酰磺胺酰氯4-Acetamidobenzenesulfonyl chlorideN-Acetylsulfanilyl chloride4-乙酰氨基苯磺酰氯4-(Acetylamino)phenylsulfonyl ChlorideN-(4-Chlorosulfonylphenyl)acetamide4-(Acetylamino)benzene-2,3,5,6-sulfonyl ChlorideDagenan Chloride4-(Acetylamino)benzenesulfonyl Chloride4-Acetamidobenzenesulphonyl chloride4-乙酰氨基苯磺酰氯p-Acetamidophenylsulfonyl ChlorideN-Acetylsulfanilyl ChlorideNSC 127860ASC4-Acetamidobenzenesulfonyl chloride

IUPAC Traditional name

4-acetamidobenzenesulfonyl chloride

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number