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UNC5452

CAT: 0013-GTR19211599-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211599-03Size:100 mg
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Description
UNC5452
CAS Number
943434-15-9
Smiles
S (NCCN (C) C) (=O) (=O) C1=CC=C (C2=C3C (=NC=C2) NC=C3) C=C1
Molecular Formula
C17H20N4O2S
Molecular Weight
344.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-(dimethylamino)ethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CAS Number943434-15-9
PubChem CID23648887
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
Molecular FormulaC17H20N4O2S
Molecular Weight344.4
XLogP1.9
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity497
SMILES
CN(C)CCNS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CNC3=NC=C2
InChI
InChI=1S/C17H20N4O2S/c1-21(2)12-11-20-24(22,23)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10,20H,11-12H2,1-2H3,(H,18,19)
InChIKey
RULRLUFVKXIRNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(dimethylamino)ethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CAS: 943434-15-9
CID: 23648887
Formula: C17H20N4O2S
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass344.13069707
Monoisotopic Mass344.13069707
Topological Polar Surface Area86.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity497
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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