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3-[(benzenesulfonyl)methyl]-5-[1-(2-chlorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

3-[(benzenesulfonyl)methyl]-5-[1-(2-chlorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

CAS: 672925-66-5

Formula: C19H18ClN3O5S2

SMILES: ClC1=C(C=CC=C1)S(=O)(=O)N1CCCC1C1=NC(CS(=O)(=O)C2=CC=CC=C2)=NO1

IUPAC: 3-[(benzenesulfonyl)methyl]-5-[1-(2-chlorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

InChI: InChI=1/C19H18ClN3O5S2/c20-15-9-4-5-11-17(15)30(26,27)23-12-6-10-16(23)19-21-18(22-28-19)13-29(24,25)14-7-2-1-3-8-14/h1-5,7-9,11,16H,6,10,12-13H2

Composition: C (48.77%), H (3.88%), Cl (7.58%), N (8.98%), O (17.10%), S (13.70%)

Molar Mass: 467.94

Atom Count: 48

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 467.0376407
Formal Charge 0
FSP3 0.26
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey ZJACBPZKINWLQC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.53
Topological Polar Surface Area 110.44
Polarizability 44.55
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 672925-66-5 $51.35-$86.31$51.35$63.37$86.31
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