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2-{N-[(2-fluorophenyl)methyl]methanesulfonamido}benzoic acid

2-{N-[(2-fluorophenyl)methyl]methanesulfonamido}benzoic acid

Formula: C15H14FNO4S

SMILES: CS(=O)(=O)N(CC1=CC=CC=C1F)C1=CC=CC=C1C(O)=O

IUPAC: 2-{N-[(2-fluorophenyl)methyl]methanesulfonamido}benzoic acid

InChI: InChI=1S/C15H14FNO4S/c1-22(20,21)17(10-11-6-2-4-8-13(11)16)14-9-5-3-7-12(14)15(18)19/h2-9H,10H2,1H3,(H,18,19)

Composition: C (55.72%), H (4.36%), F (5.88%), N (4.33%), O (19.79%), S (9.92%)

Molar Mass: 323.34

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 323.062757272
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey OBZWRYGILKTVOH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.72
Topological Polar Surface Area 74.68
Polarizability 30.98
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H14FNO4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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