Sulfameter-d4

CAT: 0926-PXB48396-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-PXB48396-03Size:25 mg

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

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CAS Number

1189483-96-2

Smiles

COC1=CN=C (N=C1) NS (=O) (=O) C2=CC=C (C=C2) N

Molecular Formula

C11H12N4O3S

Molecular Weight

284.33 g/mol

Controlled

Chemical Information

Sulfameter-d4

CAS Number	1189483-96-2
PubChem CID	46782959
IUPAC Name	4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
Molecular Formula	C11H12N4O3S
Molecular Weight	284.33
XLogP	0.4
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	368

SMILES

[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=NC=C(C=N2)OC)[2H]

InChI

InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)/i2D,3D,4D,5D

InChIKey

GPTONYMQFTZPKC-QFFDRWTDSA-N

Chemical Structure

2D Structure

CAS: 1189483-96-2

CID: 46782959

Formula: C11H12N4O3S

MW: 284.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.33
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	284.08811841
Monoisotopic Mass	284.08811841
Topological Polar Surface Area	116 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	368
Isotope Atom Count	4
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