CAS 172662-88-3

1 2D Structure

CAS 172662-88-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(4-fluorophenyl)sulfamoyl chloride

2.1.2 InChI

InChI=1S/C6H5ClFNO2S/c7-12(10,11)9-6-3-1-5(8)2-4-6/h1-4,9H

2.1.3 InChI Key

XNKZWQJLJWLNGJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1NS(=O)(=O)Cl)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 172662-88-3

2. N-(4-fluorophenyl)sulfamoyl Chloride

3. Schembl1615445

4. Dtxsid90620958

5. (4-fluorophenyl)sulfamyl Chloride

6. Akos006333053

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₆H₅ClFNO₂S
Molecular Weight	209.63 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	208.9713554 g/mol
Monoisotopic Mass	208.9713554 g/mol
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	230
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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