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(2R)-N-hydroxy-3-methyl-2-[N-(pyridin-3-ylmethyl)-4-methoxybenzenesulfonamido]butanamide hydrochloride

(2R)-N-hydroxy-3-methyl-2-[N-(pyridin-3-ylmethyl)-4-methoxybenzenesulfonamido]butanamide hydrochloride

CAS: 161314-82-5

Formula: C18H24ClN3O5S

SMILES: Cl.COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CN=CC=C1)[C@H](C(C)C)C(=O)NO

IUPAC: (2R)-N-hydroxy-3-methyl-2-{N-[(pyridin-3-yl)methyl]-4-methoxybenzenesulfonamido}butanamide hydrochloride

InChI: InChI=1S/C18H23N3O5S.ClH/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16;/h4-11,13,17,23H,12H2,1-3H3,(H,20,22);1H/t17-;/m1./s1

Composition: C (50.29%), H (5.63%), Cl (8.25%), N (9.77%), O (18.61%), S (7.46%)

Molar Mass: 429.92

Atom Count: 52

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 429.1125198
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey ZVYIZSNCEAHMCF-UNTBIKODSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.09
Topological Polar Surface Area 108.83
Polarizability 39.75
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 161314-82-5 $44.34-$467.81$44.34$65.74$90.96$221.68$321.81$467.81
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