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Urinary Incontinence-Targeting Compound 1

CAT: 0013-GTR19202665-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202665-01Size:25 mg
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Description
This sulfonanilide derivative is a research compound for investigating urinary incontinence. It serves as a tool in both in vitro and in vivo studies to explore mechanisms and potential therapeutic targets related to bladder dysfunction.
CAS Number
137315-05-0
Field of Research
Pharmacology & Drug Discovery
Smiles
N (S (C) (=O) =O) C1=CC (C (CN) O) =C (F) C=C1
Molecular Formula
C9H13FN2O3S
Molecular Weight
248.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-(2-Amino-1-hydroxyethyl)-4-fluorophenyl]methanesulfonamide
CAS Number137315-05-0
PubChem CID9838761
IUPAC NameN-[3-(2-amino-1-hydroxyethyl)-4-fluorophenyl]methanesulfonamide
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28
XLogP-0.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity317
SMILES
CS(=O)(=O)NC1=CC(=C(C=C1)F)C(CN)O
InChI
InChI=1S/C9H13FN2O3S/c1-16(14,15)12-6-2-3-8(10)7(4-6)9(13)5-11/h2-4,9,12-13H,5,11H2,1H3
InChIKey
XYLJNMCMDOOJRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(2-Amino-1-hydroxyethyl)-4-fluorophenyl]methanesulfonamide
CAS: 137315-05-0
CID: 9838761
Formula: C9H13FN2O3S
MW: 248.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.28
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass248.06309162
Monoisotopic Mass248.06309162
Topological Polar Surface Area101 Ų
Heavy Atom Count16
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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