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Sulfadimethoxine Impurity 11

CAT: 1299-RM-S212611-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S212611-01Size:10 mg
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CAS Number
450365-21-6
Synonyms
4- ((4-acetamidophenyl) sulfonamido) benzenesulfonic acid
Molecular Formula
C14H14N2O6S2
Molecular Weight
370.39
Target Alternative Name
Sulfadimethoxine
Product Name Synonym
4- ((4-acetamidophenyl) sulfonamido) benzenesulfonic acid

Chemical Information

Sulfadimethoxine Impurity 11
CAS Number450365-21-6
PubChem CID127501804
IUPAC Name4-[(4-acetamidophenyl)sulfonylamino]benzenesulfonic acid
Molecular FormulaC14H14N2O6S2
Molecular Weight370.4
XLogP0.7
Topological Polar Surface Area146
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity634
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C14H14N2O6S2/c1-10(17)15-11-2-6-13(7-3-11)23(18,19)16-12-4-8-14(9-5-12)24(20,21)22/h2-9,16H,1H3,(H,15,17)(H,20,21,22)
InChIKey
VXSUIXQBTKNASR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfadimethoxine Impurity 11
CAS: 450365-21-6
CID: 127501804
Formula: C14H14N2O6S2
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass370.02932852
Monoisotopic Mass370.02932852
Topological Polar Surface Area146 Ų
Heavy Atom Count24
Formal Charge0
Complexity634
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