AZD2098

CAT: 0127-BUP12876-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12876-02Size:10 mg

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

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CAS Number

566203-88-1

Purity

=98%

Smiles

COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl

Chemical Information

2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzenesulfonamide

CAS Number	566203-88-1
PubChem CID	10308720
IUPAC Name	2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
Molecular Formula	C11H9Cl2N3O3S
Molecular Weight	334.2
XLogP	2.6
Topological Polar Surface Area	89.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	418

SMILES

COC1=NC=CN=C1NS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)

InChIKey

FLSMVCMSUNISFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 566203-88-1

CID: 10308720

Formula: C11H9Cl2N3O3S

MW: 334.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	334.2
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	332.9741677
Monoisotopic Mass	332.9741677
Topological Polar Surface Area	89.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	418
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