Dibenzenesulfonimide

CAT: 0024-sc-285408Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-285408Size:5 g

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CAS Number

2618-96-4

Chemical Information

Benzenesulfonamide, N-(phenylsulfonyl)-

CAS Number	2618-96-4
PubChem CID	75671
IUPAC Name	N-(benzenesulfonyl)benzenesulfonamide
Molecular Formula	C12H11NO4S2
Molecular Weight	297.4
XLogP	0.5
Topological Polar Surface Area	97.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	429

SMILES

C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H

InChIKey

OVQABVAKPIYHIG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2618-96-4

CID: 75671

Formula: C12H11NO4S2

MW: 297.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.4
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	297.01295018
Monoisotopic Mass	297.01295018
Topological Polar Surface Area	97.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	429
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

Catalog	Name
abx183979-01	Dibenzenesulfonimide
OR1003693-01	L-Isoleucine tert-butyl ester dibenzenesulfonimide salt