Venetoclax Impurity 27

CAT: 1596-AR-V06483-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06483-01Size:10 Units

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CAS Number

97-09-6

Synonyms

4-Chloro-3-nitrobenzenesulfonamide

Molecular Formula

C6H5ClN2O4S

Molecular Weight

236.63

API Name

Venetoclax

Chemical Information

4-Chloro-3-nitrobenzenesulfonamide

CAS Number	97-09-6
PubChem CID	7324
IUPAC Name	4-chloro-3-nitrobenzenesulfonamide
Molecular Formula	C6H5ClN2O4S
Molecular Weight	236.63
XLogP	0.8
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	320

SMILES

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)

InChIKey

SPZGXONNVLTQDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97-09-6

CID: 7324

Formula: C6H5ClN2O4S

MW: 236.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.63
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	235.9658555
Monoisotopic Mass	235.9658555
Topological Polar Surface Area	114 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	320
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

Catalog	Name
AR-V07184-01	Venetoclax Impurity 2
AR-V06472-01	Venetoclax Impurity 14
AR-V06467-01	Venetoclax Impurity 6
AR-V06474-01	Venetoclax Impurity 16
AR-V06476-01	Venetoclax Impurity 18
AR-V07103-01	Venetoclax Desfluoro Impurity
AR-V06040-01	Venetoclax Dimer Impurity
AR-V06481-01	Venetoclax Impurity 25
AR-V07206-01	Venetoclax Piperazine Impurity
AR-V07187-01	Venetoclax Impurity 31

Catalog	Name
CS-O-33811	Venetoclax Hydroxyl impurity (Venetoclax Impurity M3)
CS-O-36798	Venetoclax Impurity
CS-T-82852	Venetoclax Impurity 6
CS-O-62987	Venetoclax Impurity 58
CS-O-47892	Venetoclax Hydroxy impurity
CS-O-16745	Venetoclax destetrahydropyranmethylamine impurity
CS-O-16744	Venetoclax Impurity 5
CS-O-16741	Venetoclax Impurity 2
CS-EO-00676	Venetoclax Impurity 12
RM-V051437-01	Venetoclax Impurity 37