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N-{4-[(2,4-dimethylphenyl)sulfamoyl]phenyl}-4-fluorobenzamide

N-{4-[(2,4-dimethylphenyl)sulfamoyl]phenyl}-4-fluorobenzamide

Formula: C21H19FN2O3S

SMILES: CC1=CC=C(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=C(F)C=C3)C=C2)C(C)=C1

IUPAC: N-{4-[(2,4-dimethylphenyl)sulfamoyl]phenyl}-4-fluorobenzamide

InChI: InChI=1S/C21H19FN2O3S/c1-14-3-12-20(15(2)13-14)24-28(26,27)19-10-8-18(9-11-19)23-21(25)16-4-6-17(22)7-5-16/h3-13,24H,1-2H3,(H,23,25)

Composition: C (63.30%), H (4.81%), F (4.77%), N (7.03%), O (12.05%), S (8.05%)

Molar Mass: 398.45

Atom Count: 47

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 398.110041817
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IAUMYGDVNXOIHK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.72
Topological Polar Surface Area 75.27
Polarizability 40.99
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H19FN2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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