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N-(3-bromophenyl)-2-[N-(4-phenoxyphenyl)methanesulfonamido]acetamide

N-(3-bromophenyl)-2-[N-(4-phenoxyphenyl)methanesulfonamido]acetamide

Formula: C21H19BrN2O4S

SMILES: CS(=O)(=O)N(CC(=O)NC1=CC=CC(Br)=C1)C1=CC=C(OC2=CC=CC=C2)C=C1

IUPAC: N-(3-bromophenyl)-2-[N-(4-phenoxyphenyl)methanesulfonamido]acetamide

InChI: InChI=1S/C21H19BrN2O4S/c1-29(26,27)24(15-21(25)23-17-7-5-6-16(22)14-17)18-10-12-20(13-11-18)28-19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,23,25)

Composition: C (53.06%), H (4.03%), Br (16.81%), N (5.89%), O (13.46%), S (6.74%)

Molar Mass: 475.36

Atom Count: 48

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 474.024891
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HRQUYECOXSPKCK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.86
Topological Polar Surface Area 75.71
Polarizability 45.05
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H19BrN2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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