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N-({N'-[(3Z)-5-bromo-2-oxo-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide

N-({N'-[(3Z)-5-bromo-2-oxo-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide

Formula: C18H13BrClF3N4O4S

SMILES: CS(=O)(=O)N(CC(=O)NN=C1/C(=O)NC2=C1C=C(Br)C=C2)C1=CC(=CC=C1Cl)C(F)(F)F

IUPAC: N-({N'-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide

InChI: InChI=1S/C18H13BrClF3N4O4S/c1-32(30,31)27(14-6-9(18(21,22)23)2-4-12(14)20)8-15(28)25-26-16-11-7-10(19)3-5-13(11)24-17(16)29/h2-7H,8H2,1H3,(H,25,28)(H,24,26,29)

Composition: C (39.04%), H (2.37%), Br (14.43%), Cl (6.40%), F (10.29%), N (10.12%), O (11.56%), S (5.79%)

Molar Mass: 553.74

Atom Count: 45

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 551.948151
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey RBHAXCGKTGVNMZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 114.88
Topological Polar Surface Area 107.94
Polarizability 43.18
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H13BrClF3N4O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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