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4-{N-[(4-tert-butylphenyl)methyl]-2-{N-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-fluorobenzenesulfonamido}acetamido}-N-hydroxybenzamide

4-{N-[(4-tert-butylphenyl)methyl]-2-{N-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-fluorobenzenesulfonamido}acetamido}-N-hydroxybenzamide

CAS: 2361659-61-0

Formula: C33H29F6N3O5S

SMILES: CC(C)(C)C1=CC=C(CN(C(=O)CN(CC2=C(F)C(F)=C(F)C(F)=C2F)S(=O)(=O)C2=CC=C(F)C=C2)C2=CC=C(C=C2)C(=O)NO)C=C1

IUPAC: 4-{N-[(4-tert-butylphenyl)methyl]-2-{N-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-fluorobenzenesulfonamido}acetamido}-N-hydroxybenzamide

InChI: InChI=1S/C33H29F6N3O5S/c1-33(2,3)21-8-4-19(5-9-21)16-42(23-12-6-20(7-13-23)32(44)40-45)26(43)18-41(48(46,47)24-14-10-22(34)11-15-24)17-25-27(35)29(37)31(39)30(38)28(25)36/h4-15,45H,16-18H2,1-3H3,(H,40,44)

Composition: C (57.14%), H (4.21%), F (16.43%), N (6.06%), O (11.53%), S (4.62%)

Molar Mass: 693.66

Atom Count: 77

Heavy Atom Count: 48

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 693.173211198
Formal Charge 0
FSP3 0.21
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey LTRKEOBJRDKIHB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 165.52
Topological Polar Surface Area 107.02
Polarizability 62.08
Ring Count 4
Rotatable Bond Count 10

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 2361659-61-0 $284.36-$2,371.17$284.36$483.87$960.85$1,565.49$2,371.17
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