Sivelestat Impurity 3

CAT: 1596-AR-S10557-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-S10557-05Size:150

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CAS Number

150374-99-5

Molecular Formula

C11H13ClO4S

Molecular Weight

276.73

API Name

Sivelestat

Chemical Information

4-(Chlorosulfonyl)phenyl 2,2-dimethylpropanoate

CAS Number	150374-99-5
PubChem CID	11011277
IUPAC Name	(4-chlorosulfonylphenyl) 2,2-dimethylpropanoate
Molecular Formula	C11H13ClO4S
Molecular Weight	276.74
XLogP	3.1
Topological Polar Surface Area	68.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	369

SMILES

CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C11H13ClO4S/c1-11(2,3)10(13)16-8-4-6-9(7-5-8)17(12,14)15/h4-7H,1-3H3

InChIKey

BSRSTUAZWZWGRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 150374-99-5

CID: 11011277

Formula: C11H13ClO4S

MW: 276.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.74
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	276.0223078
Monoisotopic Mass	276.0223078
Topological Polar Surface Area	68.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	369
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-S10559-01	Sivelestat Impurity 5
AR-S10558-01	Sivelestat Impurity 4
AR-S10562-01	Sivelestat Impurity 2
AR-S10556-01	Sivelestat Impurity 1
AR-S10555-01	Sivelestat
AR-S10560-01	Sivelestat-d4
AR-S10563-01	Sivelestat-d9
AR-S10561-01	Sivelestat Sodium Salt
AR-N01599-01	Nintedanib Impurity 3 (Intedanib Impurity 3)
AR-L06889-01	Letermovir Impurity 3

Catalog	Name
RM-S221203-01	Sivelestat Sodium Impurity C
RM-S221219-01	Sivelestat Sodium Impurity 19
RM-S221202-01	Sivelestat Sodium Impurity B
RM-S221229-01	Sivelestat Sodium Impurity 29
RM-S221208-01	Sivelestat Sodium Impurity 8
RM-S221215-01	Sivelestat Sodium Impurity 15
RM-S221214-01	Sivelestat Sodium Impurity 14
RM-S221212-01	Sivelestat Sodium Impurity 12
RM-S221233-01	Sivelestat Sodium Impurity 33
RM-S221232-01	Sivelestat Sodium Impurity 32