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Urinary Incontinence-Targeting Compound 1

CAT: 0804-HY-U00357Size: 1 EachDry Ice: NoHazardous: No
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Description
Urinary Incontinence-Targeting Compound 1 is a sulfonanilide derivative, used in the research of urinary incontinence.
CAS Number
137315-05-0
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Methanesulfonamide,_N-[3-_2-amino-1-hydroxyethyl_-4-fluorophenyl]-.html
Solubility
10 mM in DMSO
Smiles
CS(=O)(NC1=CC=C(F)C(C(O)CN)=C1)=O
Molecular Formula
C9H13FN2O3S
Molecular Weight
248.27
References & Citations
[1]Morino, Akira., et al. Preparation and formulation of sulfonanilide derivative in treating urinary incontinence. WO 9112236 A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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