Pharmaceutical impurity

Belinostat Acid

Belinostat Acid is listed in the pharmaceutical impurity collection under CAS 866323-87-7. Its represented structure has formula C15H13NO4S and a calculated molecular weight of 303.34 g/mol.

2D chemical structure

Chemical identity

Catalog name: Belinostat Acid
Common name: Belinostat Acid
Chemical name: (E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid
CAS: 866323-87-7
SMILES: O=C(O)/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1
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+
InChIKey: ALGZPROJSRYPIG-MDZDMXLPSA-N

Record ID: A88a883223425

Computed properties

C15H13NO4S Molecular formula

303.339 g/molMolecular weight

303.0565 DaMonoisotopic exact mass

83.47 Å²Topological polar surface area

2.5852 Calculated LogP (Wildman–Crippen)

80.3623 cm³/molMolar refractivity (Wildman–Crippen)

3 countHydrogen-bond acceptors

2 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD.

Molecular descriptor profile

Descriptor radar

Structural feature counts

Element composition

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference

Descriptor	Value	Percentile
Molecular weight	303.339	45.25
Calculated LogP (Wildman–Crippen)	2.5852	53.96
Topological polar surface area	83.47	60.32
Hydrogen-bond acceptors	3	33.13
Hydrogen-bond donors	2	64.87
Rotatable bonds (strict)	5	60.59

Complete molecular descriptors

Property	Calculated value	Unit / type
Molecular formula	C15H13NO4S	dimensionless
Molecular weight	303.339	g/mol
Monoisotopic exact mass	303.0565	Da
Topological polar surface area	83.47	Å²
Calculated LogP (Wildman–Crippen)	2.5852	dimensionless
Molar refractivity (Wildman–Crippen)	80.3623	cm³/mol
Hydrogen-bond acceptors	3	count
Hydrogen-bond donors	2	count
Rotatable bonds (strict)	5	count
Heavy atoms	21	count
Heteroatoms	6	count
Rings	2	count
Aromatic rings	2	count
Aliphatic rings	0	count
Saturated rings	0	count
Aromatic heterocycles	0	count
Aliphatic heterocycles	0	count
Saturated heterocycles	0	count
Aromatic carbocycles	2	count
Aliphatic carbocycles	0	count
Fraction of sp³ carbon atoms	0	fraction
Formal charge	0	e
Disconnected components	1	count
Isotopically specified atoms	0	count
Potential atom stereocenters	0	count
Unspecified atom stereocenters	0	count
Spiro atoms	0	count
Bridgehead atoms	0	count
Labute approximate surface area	122.1601	Å²
Valence electrons	108	count
Radical electrons	0	count
Bertz complexity	767.2704	index
Balaban J	2.2813	index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Belinostat Acid

Qualification and safety assessment of Belinostat Acid

Explore toxicological qualification of Belinostat Acid and ICH M7 mutagenic impurity assessment of Belinostat Acid for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Belinostat Acid and acceptable intake and limit justification for Belinostat Acid. The relevant approach depends on the available evidence, exposure and duration of use.

Related Altox services and technical resources

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

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