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S 332

CAT: 0931-T69143-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69143-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53297-82-8
Target
Others
Related Pathways
Others
Bioactivity
S 332 is an adrenergic beta3-agonist that is more potent in increasing the urinary storage volume than clenbuterol and less potent in inhibiting the contractile force of urinary bladder at micturition reflex than clenbuterol.
Smiles
O=C1N(CN(C1)C2=CC=CC=C2)C3=C(C)C=C(S(N)(=O)=O)C=C3
Molecular Formula
C16H17N3O3S
Molecular Weight
331.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

S 332
CAS Number53297-82-8
PubChem CID3041006
IUPAC Name3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
Molecular FormulaC16H17N3O3S
Molecular Weight331.4
XLogP1.9
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity539
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)N2CN(CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3O3S/c1-12-9-14(23(17,21)22)7-8-15(12)19-11-18(10-16(19)20)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,17,21,22)
InChIKey
HUUHHWPSOFUOEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S 332
CAS: 53297-82-8
CID: 3041006
Formula: C16H17N3O3S
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass331.09906259
Monoisotopic Mass331.09906259
Topological Polar Surface Area92.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity539
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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