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Compound EN300-02122

CAT: 0931-TPL0523-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0523-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55990-13-1
Bioactivity
Compound EN300-02122, with CAS No. 55990-13-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-02122 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Nc1cccc(c1)S(=O)(=O)Nc1ccccc1C(O)=O
Molecular Formula
C13H12N2O4S
Molecular Weight
292.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(3-Aminobenzenesulfonamido)benzoic acid
CAS Number55990-13-1
PubChem CID5000553
IUPAC Name2-[(3-aminophenyl)sulfonylamino]benzoic acid
Molecular FormulaC13H12N2O4S
Molecular Weight292.31
XLogP1.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity446
SMILES
C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC(=C2)N
InChI
InChI=1S/C13H12N2O4S/c14-9-4-3-5-10(8-9)20(18,19)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,14H2,(H,16,17)
InChIKey
GLOSXPMJTFDWRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Aminobenzenesulfonamido)benzoic acid
CAS: 55990-13-1
CID: 5000553
Formula: C13H12N2O4S
MW: 292.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.31
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass292.05177804
Monoisotopic Mass292.05177804
Topological Polar Surface Area118 Ų
Heavy Atom Count20
Formal Charge0
Complexity446
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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GTR19270233-01Compound EN300-1724756
GTR19280023-01Compound EN300-121824
GTR19280021-01Compound EN300-39974
GTR19280018-01Compound EN300-64192
GTR19280010-01Compound EN300-233709
GTR19270232-01Compound EN300-260715
GTR19270228-01Compound EN300-1086945
GTR19280022-01Compound EN300-88285
GTR19280020-01Compound EN300-06260
GTR19280017-01Compound EN300-24646

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