CAS 351003-23-1|3-cyano-4-fluorobenzenesulfonyl chloride|3-cyano-4-fluorobenzene-1-sulfonyl chloride|3-Cyano-4-fluorobenzenesulfonyl chloride|5-(Chlorosulphonyl)-2-fluorobenzonitrile|3-Cyano-4-fluor...

General Information

Structure

Molecular Formula

C₇H₃ClFNO₂S

Molecular Mass

219.6206232

Exact Mass

218.95570524

Charge

InChI

InChI=1S/C7H3ClFNO2S/c8-13(11,12)6-1-2-7(9)5(3-6)4-10/h1-3H

InChIKey

KDVZADPGGPBAAK-UHFFFAOYSA-N

Canonic Smiles

N#Cc1cc(ccc1F)S(=O)(=O)Cl

Isomeric Smiles

c1c(c(cc(c1)S(=O)(=O)Cl)C#N)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.918347

LogD (pH = 7.4)

1.918347

Log P

1.918347

Molar Refractivity

46.1902

Polarizability

18.081644

Polar Surface Area

57.93

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

3-cyano-4-fluorobenzene-1-sulfonyl chloride

Synonyms

3-Cyano-4-fluorobenzenesulfonyl chloride5-(Chlorosulphonyl)-2-fluorobenzonitrile3-Cyano-4-fluorobenzenesulphonyl chloride 98%4-Fluoro-3-cyanobenzenesulfonyl chloride3-氰基-4-氟苯磺酰氯3-cyano-4-fluorobenzene-1-sulfonyl chloride3-Cyano-4-fluorobenzenesulfonyl chloride

IUPAC Traditional name

3-cyano-4-fluorobenzenesulfonyl chloride

Names and Identifiers

Registration numbers

MDL Number

EC Number

CAS Number

PubChem CID