Compound CDy9

CAT: 0127-BUP09926-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09926-02Size:10 mg

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

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CAS Number

952306-80-8

Purity

=98%

Smiles

C(NC1=CC(S(N)(=O)=O)=CC=C1)(=O)C2=CC(OC)=C(OC)C=C2

Chemical Information

hCAII-IN-8

CAS Number	952306-80-8
PubChem CID	24855629
IUPAC Name	3,4-dimethoxy-N-(3-sulfamoylphenyl)benzamide
Molecular Formula	C15H16N2O5S
Molecular Weight	336.4
XLogP	1.3
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	504

SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)OC

InChI

InChI=1S/C15H16N2O5S/c1-21-13-7-6-10(8-14(13)22-2)15(18)17-11-4-3-5-12(9-11)23(16,19)20/h3-9H,1-2H3,(H,17,18)(H2,16,19,20)

InChIKey

NXXHQVMWOQRKGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 952306-80-8

CID: 24855629

Formula: C15H16N2O5S

MW: 336.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.4
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	336.07799279
Monoisotopic Mass	336.07799279
Topological Polar Surface Area	116 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	504
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