Belinostat Acid-d5

CAT: 1596-AR-B06137-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06137-01Size:10 Units

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CAS Number

2130853-04-0

Synonyms

(E) -3- (3- (N- (phenyl-d5) sulfamoyl) phenyl) acrylic acid

Molecular Formula

C15H8D5NO4S

Molecular Weight

308.36

API Name

Belinostat

Chemical Information

Belinostat acid-d5

CAS Number	2130853-04-0
PubChem CID	163322056
IUPAC Name	(E)-3-[3-[(2,3,4,5,6-pentadeuteriophenyl)sulfamoyl]phenyl]prop-2-enoic acid
Molecular Formula	C15H13NO4S
Molecular Weight	308.4
XLogP	2.4
Topological Polar Surface Area	91.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	474

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)O)[2H])[2H]

InChI

InChI=1S/C15H13NO4S/c17-15(18)10-9-12-5-4-8-14(11-12)21(19,20)16-13-6-2-1-3-7-13/h1-11,16H,(H,17,18)/b10-9+/i1D,2D,3D,6D,7D

InChIKey

ALGZPROJSRYPIG-HMUIAXRESA-N

Chemical Structure

2D Structure

CAS: 2130853-04-0

CID: 163322056

Formula: C15H13NO4S

MW: 308.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.4
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	308.08791280
Monoisotopic Mass	308.08791280
Topological Polar Surface Area	91.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	474
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes