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4-{[N-(3,5-dimethylphenyl)methanesulfonamido]methyl}benzoic acid

4-{[N-(3,5-dimethylphenyl)methanesulfonamido]methyl}benzoic acid

Formula: C17H19NO4S

SMILES: CC1=CC(=CC(C)=C1)N(CC1=CC=C(C=C1)C(O)=O)S(C)(=O)=O

IUPAC: 4-{[N-(3,5-dimethylphenyl)methanesulfonamido]methyl}benzoic acid

InChI: InChI=1S/C17H19NO4S/c1-12-8-13(2)10-16(9-12)18(23(3,21)22)11-14-4-6-15(7-5-14)17(19)20/h4-10H,11H2,1-3H3,(H,19,20)

Composition: C (61.24%), H (5.74%), N (4.20%), O (19.19%), S (9.62%)

Molar Mass: 333.4

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 333.10347927
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CPJMJHNHSXLWFD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.59
Topological Polar Surface Area 74.68
Polarizability 34.77
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C17H19NO4S $296.40-$779.79$296.40$779.79
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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H19NO4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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