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Compound FL0002

CAT: 0931-FL0002-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0002-02Size:10 mg
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CAS Number
189089-90-5
Purity
0.98
Bioactivity
Compound FL0002, with CAS No. 189089-90-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0002 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
OC(=O)C1=CC2=CC=CN=C2N1S(=O)(=O)C1=CC=CC=C1
Molecular Formula
C14H10N2O4S
Molecular Weight
302.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CAS Number189089-90-5
PubChem CID24103658
IUPAC Name1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
Molecular FormulaC14H10N2O4S
Molecular Weight302.31
XLogP2.4
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity496
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2N=CC=C3)C(=O)O
InChI
InChI=1S/C14H10N2O4S/c17-14(18)12-9-10-5-4-8-15-13(10)16(12)21(19,20)11-6-2-1-3-7-11/h1-9H,(H,17,18)
InChIKey
DUNCEEUEBVPMEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CAS: 189089-90-5
CID: 24103658
Formula: C14H10N2O4S
MW: 302.31
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.31
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass302.03612798
Monoisotopic Mass302.03612798
Topological Polar Surface Area97.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity496
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

Related Products

CatalogName
FL0072-01Compound FL0072
FL0092-01Compound FL0092
FL0004-01Compound FL0004
FL0003-01Compound FL0003
FL0082-01Compound FL0082
FL0006-01Compound FL0006
FL0202-01Compound FL0202
FL0001-01Compound FL0001
FL0030-01Compound FL0030
FL0023-01Compound FL0023

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