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methyl 2-[N-(4-iodophenyl)benzenesulfonamido]acetate

methyl 2-[N-(4-iodophenyl)benzenesulfonamido]acetate

Formula: C15H14INO4S

SMILES: COC(=O)CN(C1=CC=C(I)C=C1)S(=O)(=O)C1=CC=CC=C1

IUPAC: methyl 2-[N-(4-iodophenyl)benzenesulfonamido]acetate

InChI: InChI=1S/C15H14INO4S/c1-21-15(18)11-17(13-9-7-12(16)8-10-13)22(19,20)14-5-3-2-4-6-14/h2-10H,11H2,1H3

Composition: C (41.78%), H (3.27%), I (29.43%), N (3.25%), O (14.84%), S (7.43%)

Molar Mass: 431.24

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 430.96882
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey SFKLALXWWKEJGD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92
Topological Polar Surface Area 63.68
Polarizability 36.68
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H14INO4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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