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Nimesulide Impurity 11

CAT: 1299-RM-N131911-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N131911-02Size:25 mg
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CAS Number
38880-53-4
Synonyms
N- (2-hydroxy-4-nitrophenyl) methanesulfonamide
Molecular Formula
C7H8N2O5S
Molecular Weight
232.21
Target Alternative Name
Nimesulide
Product Name Synonym
N- (2-hydroxy-4-nitrophenyl) methanesulfonamide

Chemical Information

N-(2-Hydroxy-4-nitrophenyl)methanesulfonamide
CAS Number38880-53-4
PubChem CID18618907
IUPAC NameN-(2-hydroxy-4-nitrophenyl)methanesulfonamide
Molecular FormulaC7H8N2O5S
Molecular Weight232.22
XLogP0.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity330
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C7H8N2O5S/c1-15(13,14)8-6-3-2-5(9(11)12)4-7(6)10/h2-4,8,10H,1H3
InChIKey
AABFUBYGNNVGGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Hydroxy-4-nitrophenyl)methanesulfonamide
CAS: 38880-53-4
CID: 18618907
Formula: C7H8N2O5S
MW: 232.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.22
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass232.01539253
Monoisotopic Mass232.01539253
Topological Polar Surface Area121 Ų
Heavy Atom Count15
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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AR-N08693-01Nimesulide Impurity 7 (Nitroscanate)
AR-N01572-01Nimesulide EP Impurity E
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