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N,N'-bis[4-(acetamidosulfonyl)phenyl]hexanediamide

N,N'-bis[4-(acetamidosulfonyl)phenyl]hexanediamide

Formula: C22H26N4O8S2

SMILES: CC(=O)NS(=O)(=O)C1=CC=C(NC(=O)CCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)=O)C=C1

IUPAC: N,N'-bis[4-(acetamidosulfonyl)phenyl]hexanediamide

InChI: InChI=1S/C22H26N4O8S2/c1-15(27)25-35(31,32)19-11-7-17(8-12-19)23-21(29)5-3-4-6-22(30)24-18-9-13-20(14-10-18)36(33,34)26-16(2)28/h7-14H,3-6H2,1-2H3,(H,23,29)(H,24,30)(H,25,27)(H,26,28)

Composition: C (49.06%), H (4.87%), N (10.40%), O (23.76%), S (11.91%)

Molar Mass: 538.59

Atom Count: 62

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 538.119206161
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey COIMFWJDNKBBLJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 132.74
Topological Polar Surface Area 184.68
Polarizability 51.62
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H26N4O8S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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