ELN484228

CAT: 0127-BUP06244-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP06244-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

312-63-0

Purity

=98%

Smiles

Fc1ccc(NS(=O)(=O)c2ccccc2)cc1

Chemical Information

N-(4-fluorophenyl)benzenesulfonamide

CAS Number	312-63-0
PubChem CID	295229
IUPAC Name	N-(4-fluorophenyl)benzenesulfonamide
Molecular Formula	C12H10FNO2S
Molecular Weight	251.28
XLogP	2.3
Topological Polar Surface Area	54.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	325

SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C12H10FNO2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h1-9,14H

InChIKey

AZORQGXJAXEIGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 312-63-0

CID: 295229

Formula: C12H10FNO2S

MW: 251.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.28
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	251.04162790
Monoisotopic Mass	251.04162790
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	325
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
Compound Is Canonicalized	Yes